methyl(pyridin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 76065
• Molecular Formular: C7H12Cl2N2
• Molecular Mass: 195.08958
• Monoisotopic Mass: 194.03775375
• SMILES: n1c(cccc1)CNC.Cl.Cl
• Canonical SMILES: CNCc1ccccn1.Cl.Cl
• InChI: InChI=1S/C7H10N2.2ClH/c1-8-6-7-4-2-3-5-9-7;;/h2-5,8H,6H2,1H3;2*1H
• InChIKey: UWUAILSWRYUAMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pyridin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: methyl(pyridin-2-ylmethyl)amine dihydrochloride
• Synonyms: N-Methyl-1-(pyridin-2-yl)methylamine dihydrochloride; 2-[(Methylamino)methyl]pyridine dihydrochloride

Database IDs

• CAS Number: 21035-59-6
• MDL Number: MFCD03840005
• PubChem SID: 162040983
• PubChem CID: 17749870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.37277
• LogD (pH = 7.4): -0.6848164
• Log P: 0.39539412
• Molar Refractivity: 36.6269 cm^3
• Polarizability: 14.65115 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant