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N-Benzylhydroxylamine hydrochloride

Cat No.:V65440 Purity: ≥98%
N-Benzylhydroxylamine HCl is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research.
N-Benzylhydroxylamine hydrochloride
N-Benzylhydroxylamine hydrochloride Chemical Structure CAS No.: 29601-98-7
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
N-Benzylhydroxylamine HCl is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research.
N-Benzylhydroxylamine hydrochloride (CAS 29601-98-7) is a biochemical reagent and organic compound used in life science research. It is an N-substituted hydroxylamine salt broadly utilized as a pivotal intermediate in nitrone chemistry, 1,3-dipolar cycloadditions, and pharmaceutical synthesis. The compound has a molecular weight of 159.61 g/mol and the formula C₇H₁₀ClNO. It appears as a solid and is stored in a dry, cool place. The compound may be used in the preparation of a precursor to aminocyclopentitol derivatives. It is a potential pharmacological agent in the prevention and progression of acrolein-induced damage to the retinal pigment epithelium.
Biological Activity I Assay Protocols (From Reference)
Targets
As an N-substituted hydroxylamine, N-benzylhydroxylamine hydrochloride does not have specific biological receptors as its primary targets. The compound is primarily used as a synthetic intermediate in nitrone chemistry and pharmaceutical synthesis. The compound has been identified as a potential pharmacological agent in the prevention and progression of acrolein-induced damage to the retinal pigment epithelium. Its mechanism of action in this context may involve scavenging of reactive aldehydes or modulation of oxidative stress pathways. The compound's hydroxylamine functionality allows it to participate in various chemical transformations, including oxidation to nitrones and condensation reactions.
ln Vitro
One possible pharmacological intervention for acrolein-induced retinal pigment epithelial cell damage is the use of N-benzylhydroxylamine.
In vitro, N-benzylhydroxylamine hydrochloride is used as a biochemical reagent and synthetic intermediate. It is broadly utilized in nitrone chemistry, 1,3-dipolar cycloadditions, and pharmaceutical synthesis. It may be used in the preparation of a precursor to aminocyclopentitol derivatives. Cellular assays are typically performed on the final compounds synthesized from this intermediate. The compound has been identified as a potential pharmacological agent for preventing acrolein-induced damage to the retinal pigment epithelium. Cellular assays may evaluate its protective effects against oxidative stress or aldehyde-induced damage.
ln Vivo
In vivo data for N-benzylhydroxylamine hydrochloride is limited, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. The compound has been identified as a potential pharmacological agent in the prevention and progression of acrolein-induced damage to the retinal pigment epithelium, suggesting potential for ophthalmic applications. Specific in vivo data for therapeutic applications is not available in the public literature. The compound's primary value lies in its use as a synthetic intermediate.
Enzyme Assay
In vitro enzyme/receptor binding assays for N-benzylhydroxylamine hydrochloride are not typically performed, as it is primarily a synthetic intermediate. The compound is used as a building block in organic synthesis, including nitrone chemistry and 1,3-dipolar cycloadditions. A typical assay involves using the compound in chemical reactions to prepare final compounds. The compound is dissolved in organic solvents such as ethanol or DMSO. The resulting products can be evaluated for biological activity. Enzyme inhibition or receptor binding assays can be performed on the final synthesized compounds. IC₅₀ or binding affinity values are calculated from dose-response curves.
Cell Assay
Cellular assays for N-benzylhydroxylamine hydrochloride may evaluate its protective effects against oxidative stress or aldehyde-induced damage. A standard protocol involves culturing retinal pigment epithelial cells in growth medium at 37°C with 5% CO₂. Cells are treated with acrolein to induce damage and with varying concentrations of the compound. Cell viability is assessed using MTT or similar assays. Oxidative stress markers such as reactive oxygen species, lipid peroxidation, and antioxidant enzyme activity are measured. The compound's protective effects are evaluated by comparing damage in treated vs. untreated cells. IC₅₀ values are calculated from dose-response curves.
Animal Protocol
In vivo animal studies for N-benzylhydroxylamine hydrochloride are not standard, as it is primarily a research reagent. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to evaluating its potential as a protective agent against retinal damage. The compound's primary value lies in its use as a synthetic intermediate. Specific in vivo protocols are not available in the public literature.
ADME/Pharmacokinetics
Pharmacokinetic data for N-benzylhydroxylamine hydrochloride is limited, as it is primarily a research reagent. The compound has a molecular weight of 159.61 g/mol and a molecular formula of C₇H₁₀ClNO. It is a solid at room temperature. As a hydroxylamine, it may undergo oxidation and conjugation in biological systems. The compound is soluble in water and organic solvents. Specific ADME data is not available. The compound is stored in a dry, cool place.
Toxicity/Toxicokinetics
N-Benzylhydroxylamine hydrochloride is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
Additional Infomation
N-Benzylhydroxylamine hydrochloride (CAS 29601-98-7) is a biochemical reagent with the molecular formula C₇H₁₀ClNO. It is an N-substituted hydroxylamine salt used as a synthetic intermediate in nitrone chemistry, 1,3-dipolar cycloadditions, and pharmaceutical synthesis. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and chemical synthesis.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C7H10CLNO
Molecular Weight
159.61
Exact Mass
159.045
CAS #
29601-98-7
PubChem CID
11332622
Appearance
White to light yellow solid powder
Boiling Point
253.9ºC at 760 mmHg
Melting Point
108-110ºC
Flash Point
135.2ºC
LogP
2.358
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Heavy Atom Count
10
Complexity
69.3
Defined Atom Stereocenter Count
0
SMILES
ONCC1=CC=CC=C1.[H]Cl
InChi Key
YSNXOQGDHGUKCZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H9NO.ClH/c9-8-6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2;1H
Chemical Name
N-benzylhydroxylamine;hydrochloride
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.2653 mL 31.3264 mL 62.6527 mL
5 mM 1.2531 mL 6.2653 mL 12.5305 mL
10 mM 0.6265 mL 3.1326 mL 6.2653 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
/

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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