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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: The commercial uses of this material are numerous and include various applications as coupling agents and adhesion promoters in fiberglass, adhesives and sealants, foundry resins, and in pre-treatment for coatings. ... Human Health: 3-Aminopropyltriethoxysilane (APTES) has been tested for acute toxicity by the oral, dermal, and inhalation routes of exposure. Acute oral LD50s in rats range from 1570 to 3650 mg/kg bw. The dermal LD50 is 4.29 g/kg bw and the 4-hour inhalation LC50 of the hydrolysate is greater than 7.35 mg/L. Six hours of exposure to substantially saturated vapor of APTES did not kill any of the 5 male or female rats (LT50 > 6 hours). The kidney is a target organ for toxicity for oral and dermal exposures. APTES is severely irritating to the skin and eyes. In a Buehler study in guinea pigs, 7/30 animals showed a skin sensitization response. The hydrolysis products of this material do not elicit a sensitization response in a guinea pig maximization test. Repeated inhalation exposure of rats to 147 mg/cu m of APTES hydrolysate respirable aerosol for four weeks produced squamous metaplasia and foci of minimal granulomatous laryngitis. No systemic toxicity was observed in rabbits after 9 repeated dermal doses of 17 or 84 mg/kg bw/day or three repeated dermal doses of 126 mg/kg bw/day of APTES; the site of contact NOAEL is less than 17 mg/kg bw/day. The no-observed-adverse-effect level (NOAEL) of APTES in a 90-day oral (gavage) study with rats was 200 mg/kg bw/day. APTES has been tested in several bacterial reverse mutation/Ames assays, in vitro V79 hamster lung cell and Chinese hamster fibroblast chromosome aberration assays, two Chinese hamster ovary cell HGPRT gene mutation assays, and an in vivo mouse micronucleus assay. In vivo and in vitro screening assays have not revealed any evidence of genotoxic potential. At the highest dose-level (600 mg/kg/day) in a 90 day oral gavage study in rats, no effects were seen on parameters of oestrus cycle and spermatogenesis or reproductive organs. The NOAEL for developmental effects has been identified for APTES following exposure via oral (gavage) in rats, with a value of 100 mg/kg bw/day, the NOAEL for maternal toxicity based on deaths and ulceration of the GI tract is <0.5 mL/kg. Environment: The estimated partition coefficient Log Kow is 0.31 and the estimated water solubility is 7.6 x 10+5 mg/L; these values may not be applicable because the material is hydrolytically unstable... Photodegradation modeling indicates the halflife in the atmosphere due to the reaction with photochemically induced OH radicals to be approximately 2.4 hours. However, photodegradation as a mode of removal is unlikely and not expected to be a significant degradation process because APTES is hydrolytically unstable. In spill conditions, the concentration of the parent silane is very high. The silanols concentration could also be high; however, the silanol rapidly self-condenses to form water insoluble, resinous oligomers and polymers. The molecular weight of the resulting oligomers and polymers is predicted to be over 1000. Anecdotal evidence suggests the molecular weight of the polymers resulting from spills is 5000 - 10000. As the parent silane and the resulting silanol are diluted, it is predicted that the polymers resulting from condensation will be of lower molecular weight. At sufficiently low silanol concentrations, low molecular weight oligomers are favored. It is calculated that at 1000 ppm of a related trialkoxysilane, the equilibrium concentration will be 86% silanol monomer and 14% silanol dimer. At still lower concentrations, the silanol will exist as the uncondensed monomer. These polymers will not be bioavailable. However, such materials are likely to cause toxicity in aquatic species due to physical effects (encapsulation, blockage of gills). The APTES 96-hr LC50 is > 934 mg/L for freshwater fish (Brachydanio rerio). The 48-hr EC50 for APTES is = 331 mg/L for the water flea (Daphnia magna). The 72-hr EbC50 for freshwater green algae (Scenedesmus subspicatus) is 603 mg/L. On the basis of cell growth, a 10% suppression of cell growth for the freshwater green algae (Scenedesmus subspicatus)was achieved at 72 hour EbC10 = 38 mg/L; on the basis of growth rate, a 10% suppression of cell growth in the same species was achieved at (0-72 hour) ErC10 = 321 mg/L. Since APTES is sensitive to hydrolysis, which may occur during preparation of the dosing solutions and/or during the testing, the observed toxicity is likely due to the hydrolysis products ethanol and trisilanols.[Organization for Economic Cooperation and Development; Screening Information Data Set for 3-Aminopropyltriethoxysilane
Non-Human Toxicity Values
LD50 Rat oral 1780 mg/kg
LD50 Rat (Sprague-Dawley, male) peroral intubation 2.83 g/kg (95% confidence limits = 2.83 (1.61 to 4.98))
LD50 Rat (Sprague-Dawley, female) peroral intubation 1.57 g/kg (95% confidence limits = 1.57 (1.34 to 1.85))
LD50 Mouse ip 260 mg/kg
For more Non-Human Toxicity Values (Complete) data for 3-(Triethoxysilyl)propylamine (8 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.

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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?
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  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • 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:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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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:
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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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