ethyl N-(2-amino-1-phenylethyl)carbamate

• ChemBase ID: 254606
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(NC(c1ccccc1)CN)OCC
• Canonical SMILES: NCC(c1ccccc1)NC(=O)OCC
• InChI: InChI=1S/C11H16N2O2/c1-2-15-11(14)13-10(8-12)9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)
• InChIKey: IRZUKXUUMGDAEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(2-amino-1-phenylethyl)carbamate
• IUPAC Traditional name: ethyl N-(2-amino-1-phenylethyl)carbamate
• Synonyms: ethyl 2-amino-1-phenylethylcarbamate

Database IDs

• MDL Number: MFCD09814372
• PubChem SID: 164310516
• PubChem CID: 42943783

CALCULATED PROPERTIES

• Acid pKa: 14.248408
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.66441
• LogD (pH = 7.4): -0.18805322
• Log P: 1.1567432
• Molar Refractivity: 57.9674 cm^3
• Polarizability: 22.957872 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.375

Product Information

• Purity: 95%