ethyl N-(2-phenylethyl)carbamate

• ChemBase ID: 292306
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O=C(OCC)NCCc1ccccc1
• Canonical SMILES: CCOC(=O)NCCc1ccccc1
• InChI: InChI=1S/C11H15NO2/c1-2-14-11(13)12-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
• InChIKey: WXDDBYFBIIAYSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(2-phenylethyl)carbamate
• IUPAC Traditional name: ethyl N-(2-phenylethyl)carbamate
• Synonyms: Ethyl phenethylcarbamate

Database IDs

• CAS Number: 6970-83-8
• MDL Number: MFCD00026817
• PubChem SID: 180677837
• PubChem CID: 247630

CALCULATED PROPERTIES

• Acid pKa: 15.751154
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1826212
• LogD (pH = 7.4): 2.1826212
• Log P: 2.1826212
• Molar Refractivity: 55.1024 cm^3
• Polarizability: 21.433138 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%