methyl N-(2-phenylethyl)carbamate

• ChemBase ID: 813481
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: N(C(=O)OC)CCc1ccccc1
• Canonical SMILES: COC(=O)NCCc1ccccc1
• InChI: InChI=1S/C10H13NO2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
• InChIKey: QIWRMPPFDARXPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-(2-phenylethyl)carbamate
• IUPAC Traditional name: methyl N-(2-phenylethyl)carbamate
• Synonyms: METHYL 2-PHENYLETHYLCARBAMATE

CALCULATED PROPERTIES

• Acid pKa: 15.731941
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8258132
• LogD (pH = 7.4): 1.8258132
• Log P: 1.8258132
• Molar Refractivity: 50.3538 cm^3
• Polarizability: 19.592197 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%