methyl(quinolin-8-ylmethyl)amine dihydrate dihydrochloride

• ChemBase ID: 310307
• Molecular Formular: C11H18Cl2N2O2
• Molecular Mass: 281.17882
• Monoisotopic Mass: 280.07453319
• SMILES: c12c(CNC)cccc2cccn1.Cl.Cl.O.O
• Canonical SMILES: CNCc1cccc2c1nccc2.O.O.Cl.Cl
• InChI: InChI=1S/C11H12N2.2ClH.2H2O/c1-12-8-10-5-2-4-9-6-3-7-13-11(9)10;;;;/h2-7,12H,8H2,1H3;2*1H;2*1H2
• InChIKey: VAHFDZSVAWQHBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(quinolin-8-ylmethyl)amine dihydrate dihydrochloride
• IUPAC Traditional name: methyl(quinolin-8-ylmethyl)amine dihydrate dihydrochloride
• Synonyms: N-methyl-1-(8-quinolinyl)methanamine dihydrochloride dihydrate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5107708
• LogD (pH = 7.4): -0.59113526
• Log P: 1.6892493
• Molar Refractivity: 53.2273 cm^3
• Polarizability: 22.272705 Å^3
• Polar Surface Area: 24.92 Å^2