| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not have a specific biological target; it is a chemical building block. Its utility stems from the presence of both a nucleophilic amine and an alcohol functionality, allowing for a wide range of chemical modifications, including amide formation, alkylation, and oxidation.
|
|---|---|
| ln Vitro |
This compound is not a biological agent and does not have in vitro activity. Its "activity" is chemical. It is used as a versatile intermediate to synthesize more complex molecules. Its dual functionality makes it a valuable starting material for various organic transformations.
|
| ln Vivo |
This compound is not used in in vivo studies as a therapeutic agent. It is a research chemical used as an intermediate in the synthesis of other compounds, including pharmaceuticals. The final product, not the alcohol, would be tested.
|
| Enzyme Assay |
Non-cellular assays are not applicable. Its utility is in organic synthesis. A typical protocol involves using this compound as a starting material for functional group transformations. The amine can be acylated or alkylated, and the alcohol can be oxidized to an aldehyde or acid, or converted to an ether or ester.
|
| Cell Assay |
This compound is not used in cell-based assays. Its applications are in synthetic chemistry. It is a solid that should be stored in a cool, dry place. It is used as a building block to synthesize compounds that may later be tested in cells.
|
| Animal Protocol |
In vivo animal experiments do not involve this compound as a test article. It is a chemical intermediate. If used to synthesize a drug candidate, that candidate would be tested in animals. The reagent itself is not administered.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable as this is not a drug. It is a small molecule (MW 123.15) that is a solid at room temperature. It is sensitive to air and moisture. Its properties are relevant for chemical handling and storage.
|
| Toxicity/Toxicokinetics |
The toxicity of 4-Aminobenzyl alcohol is not extensively documented. As an aromatic amine and alcohol, it should be handled with caution. It may be harmful if swallowed, inhaled, or absorbed through skin. Standard laboratory safety practices should be followed. It is not intended for human or veterinary use.
|
| Additional Infomation |
structure
4-Aminobenzyl alcohol is a valuable building block in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and dyes. Its two functional groups allow for diverse chemical modifications. It is not a pharmaceutical and has no clinical trials or approved therapeutic status. |
| Molecular Formula |
C7H9NO
|
|---|---|
| Molecular Weight |
123.15
|
| Exact Mass |
123.068
|
| CAS # |
623-04-1
|
| PubChem CID |
69331
|
| Appearance |
Off-white to light brown solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
284.8±15.0 °C at 760 mmHg
|
| Melting Point |
60-65 °C(lit.)
|
| Flash Point |
126.0±20.4 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.617
|
| LogP |
-0.25
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
9
|
| Complexity |
77
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=CC=C1CO)N
|
| InChi Key |
AXKGIPZJYUNAIW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H9NO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5,8H2
|
| Chemical Name |
(4-aminophenyl)methanol
|
| 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 |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 50 mg/mL (406.01 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.30 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (20.30 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.1202 mL | 40.6009 mL | 81.2018 mL | |
| 5 mM | 1.6240 mL | 8.1202 mL | 16.2404 mL | |
| 10 mM | 0.8120 mL | 4.0601 mL | 8.1202 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.
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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