methyl(quinolin-4-ylmethyl)amine

• ChemBase ID: 307217
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12c(nccc1CNC)cccc2
• Canonical SMILES: CNCc1ccnc2c1cccc2
• InChI: InChI=1S/C11H12N2/c1-12-8-9-6-7-13-11-5-3-2-4-10(9)11/h2-7,12H,8H2,1H3
• InChIKey: WGGQONRIUNAXSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(quinolin-4-ylmethyl)amine
• IUPAC Traditional name: methyl(quinolin-4-ylmethyl)amine
• Synonyms: N-methyl-1-quinolin-4-ylmethanamine

Database IDs

• CAS Number: 157610-83-8
• MDL Number: MFCD09055306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5167178
• LogD (pH = 7.4): -0.65420026
• Log P: 1.6892493
• Molar Refractivity: 53.2273 cm^3
• Polarizability: 22.272379 Å^3
• Polar Surface Area: 24.92 Å^2