methyl(quinolin-2-ylmethyl)amine

• ChemBase ID: 307216
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: n1c2c(ccc1CNC)cccc2
• Canonical SMILES: CNCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C11H12N2/c1-12-8-10-7-6-9-4-2-3-5-11(9)13-10/h2-7,12H,8H2,1H3
• InChIKey: IMBQFFXWWOONSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(quinolin-2-ylmethyl)amine; methyl[(quinolin-2-yl)methyl]amine
• IUPAC Traditional name: methyl(quinolin-2-ylmethyl)amine
• Synonyms: N-methyl-1-quinolin-2-ylmethanamine

Database IDs

• CAS Number: 136727-11-2
• MDL Number: MFCD09864309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.130403
• LogD (pH = 7.4): 0.48727491
• Log P: 1.7707212
• Molar Refractivity: 52.7051 cm^3
• Polarizability: 22.272802 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%