methyl(pyridin-4-ylmethyl)amine dihydrochloride

• ChemBase ID: 76141
• Molecular Formular: C7H12Cl2N2
• Molecular Mass: 195.08958
• Monoisotopic Mass: 194.03775375
• SMILES: n1ccc(cc1)CNC.Cl.Cl
• Canonical SMILES: CNCc1ccncc1.Cl.Cl
• InChI: InChI=1S/C7H10N2.2ClH/c1-8-6-7-2-4-9-5-3-7;;/h2-5,8H,6H2,1H3;2*1H
• InChIKey: OAQFZPRZKPZRJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pyridin-4-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: methyl(pyridin-4-ylmethyl)amine dihydrochloride
• Synonyms: N-Methyl-1-(pyridin-4-yl)methylamine dihydrochloride; 4-[(Methylamino)methyl]pyridine dihydrochloride

Database IDs

• MDL Number: MFCD03840113
• PubChem SID: 162041056
• PubChem CID: 17749872

CALCULATED PROPERTIES

• Molar Refractivity: 37.1491 cm^3
• Polarizability: 14.6500225 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8293426
• LogD (pH = 7.4): -1.6012797
• Log P: 0.31392223

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive