(3-isocyanatopropyl)trimethoxysilane

• ChemBase ID: 106203
• Molecular Formular: C7H15NO4Si
• Molecular Mass: 205.2838
• Monoisotopic Mass: 205.0770345
• SMILES: CO[Si](CCCN=C=O)(OC)OC
• Canonical SMILES: O=C=NCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3
• InChIKey: FMGBDYLOANULLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-isocyanatopropyl)trimethoxysilane
• IUPAC Traditional name: (3-isocyanatopropyl)trimethoxysilane
• Synonyms: 3-ISOCYANATOPROPYLTRIMETHOXYSILANE

Database IDs

• CAS Number: 15396-00-6
• PubChem SID: 162094240
• PubChem CID: 84892

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.2618
• LogD (pH = 7.4): 0.2618
• Log P: 0.2618
• Molar Refractivity: 42.8244 cm^3
• Polarizability: 19.266819 Å^3
• Polar Surface Area: 57.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02199885

Purity: 95%