methyl(quinolin-3-ylmethyl)amine hydrochloride

• ChemBase ID: 55128
• Molecular Formular: C11H13ClN2
• Molecular Mass: 208.68732
• Monoisotopic Mass: 208.07672611
• SMILES: c1ccc2c(c1)cc(cn2)CNC.Cl
• Canonical SMILES: CNCc1cnc2c(c1)cccc2.Cl
• InChI: InChI=1S/C11H12N2.ClH/c1-12-7-9-6-10-4-2-3-5-11(10)13-8-9;/h2-6,8,12H,7H2,1H3;1H
• InChIKey: JBMFMRUCUMQNRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(quinolin-3-ylmethyl)amine hydrochloride
• IUPAC Traditional name: methyl(quinolin-3-ylmethyl)amine hydrochloride
• Synonyms: N-methyl-1-(3-quinolinyl)methanamine hydrochloride; N-Methyl-1-quinolin-3-ylmethanamine hydrochloride

Database IDs

• CAS Number: 120739-69-7
• MDL Number: MFCD11841216
• PubChem SID: 162059891
• PubChem CID: 45595797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4684223
• LogD (pH = 7.4): -0.2982865
• Log P: 1.6892493
• Molar Refractivity: 53.2273 cm^3
• Polarizability: 22.271967 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false