[(4-methoxypyridin-2-yl)methyl](methyl)amine dihydrochloride

• ChemBase ID: 310337
• Molecular Formular: C8H14Cl2N2O
• Molecular Mass: 225.11556
• Monoisotopic Mass: 224.04831844
• SMILES: n1c(cc(cc1)OC)CNC.Cl.Cl
• Canonical SMILES: CNCc1nccc(c1)OC.Cl.Cl
• InChI: InChI=1S/C8H12N2O.2ClH/c1-9-6-7-5-8(11-2)3-4-10-7;;/h3-5,9H,6H2,1-2H3;2*1H
• InChIKey: RMGBCDIRVBBQJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxypyridin-2-yl)methyl](methyl)amine dihydrochloride
• IUPAC Traditional name: [(4-methoxypyridin-2-yl)methyl](methyl)amine dihydrochloride
• Synonyms: [(4-methoxy-2-pyridinyl)methyl]methylamine dihydrochloride

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3960707
• LogD (pH = 7.4): -0.68128335
• Log P: 0.23772284
• Molar Refractivity: 43.0901 cm^3
• Polarizability: 17.149393 Å^3
• Polar Surface Area: 34.15 Å^2