ethyl N-(3-amino-2-methylphenyl)carbamate

• ChemBase ID: 261821
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(Nc1c(c(N)ccc1)C)OCC
• Canonical SMILES: Cc1c(NC(=O)OCC)cccc1N
• InChI: InChI=1S/C10H14N2O2/c1-3-14-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)
• InChIKey: CUARKGNESAJPQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(3-amino-2-methylphenyl)carbamate
• IUPAC Traditional name: ethyl N-(3-amino-2-methylphenyl)carbamate
• Synonyms: ethyl N-(3-amino-2-methylphenyl)carbamate

Database IDs

• MDL Number: MFCD09805811
• PubChem SID: 164317731
• PubChem CID: 20120699

CALCULATED PROPERTIES

• Acid pKa: 13.086817
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8632048
• LogD (pH = 7.4): 1.8714437
• Log P: 1.8715507
• Molar Refractivity: 57.0348 cm^3
• Polarizability: 20.651024 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.802

Product Information

• Purity: 95%