(2-methylquinolin-4-yl)methanamine

• ChemBase ID: 812818
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: NCc1c2c(cccc2)nc(c1)C
• Canonical SMILES: NCc1cc(C)nc2c1cccc2
• InChI: InChI=1S/C11H12N2/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,7,12H2,1H3
• InChIKey: ZNBHJQBGCSDNSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylquinolin-4-yl)methanamine
• IUPAC Traditional name: (2-methylquinolin-4-yl)methanamine
• Synonyms: (2-METHYL-4-QUINOLYL)METHYLAMINE

Database IDs

• CAS Number: 78812-08-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6110243
• LogD (pH = 7.4): -0.7466733
• Log P: 1.3880391
• Molar Refractivity: 53.0442 cm^3
• Polarizability: 22.18747 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%