4-amino-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 307295
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: N1C(=O)CC(c2c1cccc2)N
• Canonical SMILES: O=C1CC(N)c2c(N1)cccc2
• InChI: InChI=1S/C9H10N2O/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-4,7H,5,10H2,(H,11,12)
• InChIKey: DLABPBKCFXRHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 4-amino-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 4-amino-3,4-dihydroquinolin-2(1H)-one

Database IDs

• CAS Number: 858783-30-9
• MDL Number: MFCD09864321

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3504748
• LogD (pH = 7.4): -0.7415966
• Log P: 0.33483344
• Molar Refractivity: 47.2049 cm^3
• Polarizability: 17.839903 Å^3
• Polar Surface Area: 55.12 Å^2