ethyl N-benzylcarbamate

• ChemBase ID: 107349
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: CCOC(=O)NCc1ccccc1
• Canonical SMILES: CCOC(=O)NCc1ccccc1
• InChI: InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
• InChIKey: XSXLCQLOFRENHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-benzylcarbamate
• IUPAC Traditional name: N-benzyl ethylcarbamate
• Synonyms: ETHYL-N-BENZYLCARBAMATE

Database IDs

• CAS Number: 2621-78-5
• PubChem SID: 162093205
• PubChem CID: 75801

CALCULATED PROPERTIES

• Acid pKa: 14.740832
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.89396
• LogD (pH = 7.4): 1.8939599
• Log P: 1.89396
• Molar Refractivity: 50.3474 cm^3
• Polarizability: 19.590168 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203396

MP Biomedicals Rare Chemical collection