ethyl N-ethyl-N-phenylcarbamate

• ChemBase ID: 75294
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N(c1ccccc1)(C(=O)OCC)CC
• Canonical SMILES: CCN(c1ccccc1)C(=O)OCC
• InChI: InChI=1S/C11H15NO2/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• InChIKey: XEFYPTRGVWLMHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-ethyl-N-phenylcarbamate
• IUPAC Traditional name: ethyl N-ethyl-N-phenylcarbamate
• Synonyms: N-Ethyl-N-phenylurethane

Database IDs

• CAS Number: 1013-75-8
• MDL Number: MFCD00035796
• PubChem SID: 162040212
• PubChem CID: 13901

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4079292
• LogD (pH = 7.4): 2.4079292
• Log P: 2.4079292
• Molar Refractivity: 55.1577 cm^3
• Polarizability: 21.41928 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208862

MP Biomedicals Rare Chemical collection