(8-methylquinolin-5-yl)methanamine

• ChemBase ID: 306676
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12c(c(ccc2C)CN)cccn1
• Canonical SMILES: NCc1ccc(c2c1cccn2)C
• InChI: InChI=1S/C11H12N2/c1-8-4-5-9(7-12)10-3-2-6-13-11(8)10/h2-6H,7,12H2,1H3
• InChIKey: MJZJHOJWWBVSGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8-methylquinolin-5-yl)methanamine
• IUPAC Traditional name: (8-methylquinolin-5-yl)methanamine
• Synonyms: 1-(8-methyl-5-quinolinyl)methanamine

Database IDs

• CAS Number: 1211489-11-0
• MDL Number: MFCD15204347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2335985
• LogD (pH = 7.4): -0.44265062
• Log P: 1.7700903
• Molar Refractivity: 53.4939 cm^3
• Polarizability: 22.189013 Å^3
• Polar Surface Area: 38.91 Å^2