cyclohexyl N-phenylcarbamate

• ChemBase ID: 289946
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: O=C(OC1CCCCC1)Nc1ccccc1
• Canonical SMILES: O=C(Nc1ccccc1)OC1CCCCC1
• InChI: InChI=1S/C13H17NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,14,15)
• InChIKey: CEUNIYVZFAQQSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl N-phenylcarbamate
• IUPAC Traditional name: cyclohexyl N-phenylcarbamate
• Synonyms: Cyclohexyl phenylcarbamate

Database IDs

• CAS Number: 3770-95-4
• PubChem SID: 180675477
• PubChem CID: 246597

CALCULATED PROPERTIES

• Acid pKa: 13.033967
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6295178
• LogD (pH = 7.4): 3.6295168
• Log P: 3.6295178
• Molar Refractivity: 63.5588 cm^3
• Polarizability: 24.374935 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%