benzyl N-(1-phenylcyclopropyl)carbamate

• ChemBase ID: 291337
• Molecular Formular: C17H17NO2
• Molecular Mass: 267.32238
• Monoisotopic Mass: 267.12592879
• SMILES: O=C(OCc1ccccc1)NC1(c2ccccc2)CC1
• Canonical SMILES: O=C(NC1(CC1)c1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C17H17NO2/c19-16(20-13-14-7-3-1-4-8-14)18-17(11-12-17)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
• InChIKey: PCIOJNFEBGVQOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-(1-phenylcyclopropyl)carbamate
• IUPAC Traditional name: benzyl N-(1-phenylcyclopropyl)carbamate
• Synonyms: Benzyl (1-phenylcyclopropyl)carbamate

Database IDs

• CAS Number: 1324000-40-9
• MDL Number: MFCD22205767
• PubChem SID: 180676868
• PubChem CID: 66570704

CALCULATED PROPERTIES

• Acid pKa: 14.073809
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6509583
• LogD (pH = 7.4): 3.6509583
• Log P: 3.6509583
• Molar Refractivity: 77.3122 cm^3
• Polarizability: 30.29981 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%