[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine dihydrochloride

• ChemBase ID: 55291
• Molecular Formular: C10H18Cl2N2O
• Molecular Mass: 253.16872
• Monoisotopic Mass: 252.07961857
• SMILES: c1(cnc(c(c1OC)C)CNC)C.Cl.Cl
• Canonical SMILES: CNCc1ncc(c(c1C)OC)C.Cl.Cl
• InChI: InChI=1S/C10H16N2O.2ClH/c1-7-5-12-9(6-11-3)8(2)10(7)13-4;;/h5,11H,6H2,1-4H3;2*1H
• InChIKey: FRGURPFPURLDNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine dihydrochloride
• IUPAC Traditional name: [(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine dihydrochloride
• Synonyms: [(4-Methoxy-3,5-dimethylpyridin-2-yl)methyl]-methylamine dihydrochloride

Database IDs

• CAS Number: 945983-90-4
• MDL Number: MFCD18071171
• PubChem SID: 162060054
• PubChem CID: 53433546

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4294438
• LogD (pH = 7.4): 0.21727328
• Log P: 1.2645656
• Molar Refractivity: 53.1725 cm^3
• Polarizability: 20.683205 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false