(aminomethyl)triethoxysilane

• ChemBase ID: 178988
• Molecular Formular: C7H19NO3Si
• Molecular Mass: 193.31616
• Monoisotopic Mass: 193.11342001
• SMILES: [Si](CN)(OCC)(OCC)OCC
• Canonical SMILES: NC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C7H19NO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-8H2,1-3H3
• InChIKey: ROWWCTUMLAVVQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (aminomethyl)triethoxysilane
• IUPAC Traditional name: (aminomethyl)triethoxysilane
• Synonyms: Aminomethyltriethoxysilane; 1-(Triethoxysilyl)methanamine

Database IDs

• CAS Number: 18306-83-7
• PubChem SID: 164234898
• PubChem CID: 15433932

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.35688
• LogD (pH = 7.4): 0.40777597
• Log P: 1.1814
• Molar Refractivity: 44.0293 cm^3
• Polarizability: 20.192404 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T775650

Used in a method for lightening and/or dyeing human keratinous fibers, uses a composition containing one or more particulate amino-silicone compounds and an oxidizing compound.