ethyl N-(3-aminophenyl)carbamate

• ChemBase ID: 308027
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(Nc1cc(N)ccc1)OCC
• Canonical SMILES: CCOC(=O)Nc1cccc(c1)N
• InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2,10H2,1H3,(H,11,12)
• InChIKey: CUBBETISFVCGIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(3-aminophenyl)carbamate
• IUPAC Traditional name: ethyl N-(3-aminophenyl)carbamate
• Synonyms: ethyl (3-aminophenyl)carbamate

Database IDs

• CAS Number: 68621-73-8
• MDL Number: MFCD06090887

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3484029
• LogD (pH = 7.4): 1.3580045
• Log P: 1.3581293
• Molar Refractivity: 51.9936 cm^3
• Polarizability: 18.889288 Å^3
• Polar Surface Area: 64.35 Å^2