[(3-aminopropyl)dimethoxysilyl]methanol

• ChemBase ID: 112616
• Molecular Formular: C6H17NO3Si
• Molecular Mass: 179.28958
• Monoisotopic Mass: 179.09776994
• SMILES: CO[Si](CO)(CCCN)OC
• Canonical SMILES: NCCC[Si](OC)(OC)CO
• InChI: InChI=1S/C6H17NO3Si/c1-9-11(6-8,10-2)5-3-4-7/h8H,3-7H2,1-2H3
• InChIKey: CSVUZYPSSGFRBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-aminopropyl)dimethoxysilyl]methanol
• IUPAC Traditional name: [(3-aminopropyl)dimethoxysilyl]methanol
• Synonyms: γ-AMINOPROPYLTRIMETHOXYSILANE

Database IDs

• CAS Number: 13822-56-5
• EC Number: 237-511-5
• PubChem SID: 162097451
• PubChem CID: 24884179

CALCULATED PROPERTIES

• Acid pKa: 13.8174515
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.9377997
• LogD (pH = 7.4): -3.235796
• Log P: -0.5155
• Molar Refractivity: 39.757 cm^3
• Polarizability: 18.292953 Å^3
• Polar Surface Area: 64.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64

DETAILS

MP Biomedicals - 05224948

MP Biomedicals Rare Chemical collection