1,1-diphenyl-3-(trimethylsilyl)urea

• ChemBase ID: 108083
• Molecular Formular: C16H20N2OSi
• Molecular Mass: 284.4283
• Monoisotopic Mass: 284.1344898
• SMILES: C[Si](C)(C)NC(=O)N(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(N(c1ccccc1)c1ccccc1)N[Si](C)(C)C
• InChI: InChI=1S/C16H20N2OSi/c1-20(2,3)17-16(19)18(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,17,19)
• InChIKey: GAHRVZNXQIBFFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diphenyl-3-(trimethylsilyl)urea
• IUPAC Traditional name: 1,1-diphenyl-3-(trimethylsilyl)urea
• Synonyms: TRIMETHYLSILYL-N,N'-DIPHENYLUREA

Database IDs

• CAS Number: 1154-84-3
• PubChem SID: 162093895
• PubChem CID: 22020665

CALCULATED PROPERTIES

• Acid pKa: 16.146564
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.2568
• LogD (pH = 7.4): 4.2568
• Log P: 4.2568
• Molar Refractivity: 79.0315 cm^3
• Polarizability: 32.542686 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206019

MP Biomedicals Rare Chemical collection