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3-(Triethoxysilyl)propylamine

Alias: 3-(Triethoxysilyl)propylamine NSC-95428 NSC95428NSC 95428
Cat No.:V9474 Purity: ≥98%
3-Aminopropyltriethoxysilane is a widely used method for immobilizing biomolecules on silicon and silicon analogues, like silicon nitride (Si3N4).
3-(Triethoxysilyl)propylamine
3-(Triethoxysilyl)propylamine Chemical Structure CAS No.: 919-30-2
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
3-Aminopropyltriethoxysilane is a widely used method for immobilizing biomolecules on silicon and silicon analogues, like silicon nitride (Si3N4).
Biological Activity I Assay Protocols (From Reference)
Toxicity/Toxicokinetics
Toxicity Summary
Exposure Routes: This material has a wide range of commercial applications, including use as a coupling agent and adhesion promoter in glass fibers, adhesives and sealants, casting resins, and coating pretreatment agents. …Human Health: Acute toxicity of 3-aminopropyltriethoxysilane (APTES) has been tested via oral, dermal, and inhalation routes. The acute oral LD50 in rats ranges from 1570 to 3650 mg/kg body weight. The dermal LD50 is 4.29 g/kg body weight, and the 4-hour inhalation LC50 of the hydrolysate is greater than 7.35 mg/L. Five male or female rats exposed to near-saturation APTES vapor for 6 hours did not die (LT50 > 6 hours). The kidneys are the target organ for toxicity from oral and dermal exposures. APTES is a strong irritant to the skin and eyes. In a guinea pig study conducted by Buehler, 7 out of 30 animals developed dermal sensitization. The hydrolysate of this substance did not induce sensitization in the maximum sensitization test in guinea pigs. Rats developed squamous metaplasia and mild granulomatous laryngitis foci after four consecutive weeks of inhalation of APTES hydrolysate inhalable aerosol at a concentration of 147 mg/m³. Rabbits administered APTES nine times percutaneously at 17 or 84 mg/kg body weight/day, or three times percutaneously at 126 mg/kg body weight/day, without systemic toxicity; the no-observed-adverse-effect level (NOAEL) at the exposure site was less than 17 mg/kg body weight/day. In a 90-day rat gavage study, the NOAEL for APTES was 200 mg/kg body weight/day. APTES has been tested in various bacterial reverse mutation/Ames assays, in vitro V79 hamster lung cells and Chinese hamster fibroblast chromosome aberration assays, two Chinese hamster ovary cell HGPRT gene mutation assays, and in vivo mouse micronucleus assays. No evidence of genotoxicity was found in in vivo or in vitro screening tests. In a 90-day rat gavage study, no effects on estrous cycles, spermatogenesis, or reproductive organ parameters were observed in the highest dose group (600 mg/kg/day). Following oral (gavage) exposure in rats, the developmental effects of APTES were observed at a NOAEL of 100 mg/kg body weight/day; the NOAEL based on maternal toxicity (based on mortality and gastrointestinal ulceration) was <0.5 mL/kg. Environmentally: the estimated partition coefficient Log Kow was 0.31, and the estimated water solubility was 7.6 x 10⁵ mg/L; these values may not be applicable due to the hydrolytic instability of the substance… Photodegradation models suggest an atmospheric half-life of approximately 2.4 hours due to photochemically induced hydroxyl radical reactions. However, given the hydrolytic instability of APTES, photodegradation is unlikely to be a viable removal mechanism and is not expected to be the primary degradation process. In the event of leakage, the concentration of the parent silane is very high. The concentration of silanols can also be high; however, silanols rapidly self-condense to form water-insoluble resinous oligomers and polymers. The resulting oligomers and polymers are expected to have molecular weights exceeding 1000. Anecdotal evidence suggests that leaked polymers have molecular weights of 5000-10000. As the parent silane and the generated silanols are diluted, the molecular weight of the condensed polymers is expected to decrease. At sufficiently low silanol concentrations, low molecular weight oligomers predominate. Calculations show that at a relevant trialkoxysilane concentration of 1000 ppm, the equilibrium concentration will be 86% silanol monomers and 14% silanol dimers. At even lower concentrations, silanols will exist as uncondensed monomers. These polymers are not biologically active. However, such substances can be toxic to aquatic organisms due to physical effects such as cysts and gill blockage. APTES has a 96-hour LC50 of >934 mg/L for freshwater fish (zebrafish). The 48-hour EC50 of APTES against Daphnia davidii (large fleas) was 331 mg/L. The 72-hour EbC50 of APTES against the freshwater green algae Scenedesmus niger was 603 mg/L. Based on cell growth, the cell growth inhibition rate of the freshwater green algae Scenedesmus niger reached 10% at 72-hour EbC10 = 38 mg/L; based on growth rate, the cell growth inhibition rate of the same species reached 10% at 0-72-hour ErC10 = 321 mg/L. Since APTES is sensitive to hydrolysis, which may occur during the preparation of the dosing solution and/or the testing process, the observed toxicity is likely due to the hydrolysis products ethanol and trisilanol. [OECD; 3-Aminopropyltriethoxysilane Screening Information Dataset
Non-human Toxicity Values
Oral LD50 in rats: 1780 mg/kg
Oral intubation LD50 in rats (Sprague-Dawley, male): 2.83 g/kg (95% confidence interval = 2.83 (1.61 to 4.98))
Oral intubation LD50 in rats (Sprague-Dawley, female): 1.57 g/kg (95% confidence interval = 1.57 (1.34 to 1.85))
Intraperitoneal LD50 in mice: 260 mg/kg
For more complete non-human toxicity data for 3-(triethoxysilyl)propylamine (8 compounds in total), please visit the HSDB record page.
References

[1]. Optimization of 3-aminopropyltriethoxysilane functionalization on silicon nitride surface for biomolecule immobilization. Talanta. 2020;207:120305.

[2]. Immobilization of antibodies and enzymes on 3-aminopropyltriethoxysilane-functionalized bioanalytical platforms for biosensors and diagnostics. Chem Rev. 2014 Nov 12;114(21):11083-130.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H23NO3SI
Molecular Weight
221.37
Exact Mass
221.144
CAS #
919-30-2
Related CAS #
29159-37-3
PubChem CID
13521
Appearance
Colorless to light yellow liquid
Density
0.9±0.1 g/cm3
Boiling Point
222.1±13.0 °C at 760 mmHg
Melting Point
-70 °C
Flash Point
104.4±0.0 °C
Vapour Pressure
0.1±0.4 mmHg at 25°C
Index of Refraction
1.433
LogP
1.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Heavy Atom Count
14
Complexity
118
Defined Atom Stereocenter Count
0
SMILES
O([Si](CCCN)(OCC)OCC)CC
InChi Key
WYTZZXDRDKSJID-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H23NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-10H2,1-3H3
Chemical Name
3-(Triethoxysilyl)propylamine
Synonyms
3-(Triethoxysilyl)propylamine NSC-95428 NSC95428NSC 95428
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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)
H2O : ≥ 100 mg/mL (~451.73 mM)
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 4.5173 mL 22.5866 mL 45.1732 mL
5 mM 0.9035 mL 4.5173 mL 9.0346 mL
10 mM 0.4517 mL 2.2587 mL 4.5173 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:

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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:
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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.
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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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