(6-methylquinolin-5-yl)methanamine

• ChemBase ID: 309241
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c1(c2c(nccc2)ccc1C)CN
• Canonical SMILES: NCc1c(C)ccc2c1cccn2
• InChI: InChI=1S/C11H12N2/c1-8-4-5-11-9(10(8)7-12)3-2-6-13-11/h2-6H,7,12H2,1H3
• InChIKey: HEDUOIPDMFNVLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylquinolin-5-yl)methanamine
• IUPAC Traditional name: (6-methylquinolin-5-yl)methanamine
• Synonyms: 1-(6-methyl-5-quinolinyl)methanamine

Database IDs

• CAS Number: 1211430-40-8
• MDL Number: MFCD15204348

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2312312
• LogD (pH = 7.4): -0.41208205
• Log P: 1.7700903
• Molar Refractivity: 53.4939 cm^3
• Polarizability: 22.18762 Å^3
• Polar Surface Area: 38.91 Å^2