methyl[(6-methylpyridin-2-yl)methyl]amine dihydrochloride

• ChemBase ID: 278460
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: n1c(CNC)cccc1C.Cl.Cl
• Canonical SMILES: CNCc1cccc(n1)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-7-4-3-5-8(10-7)6-9-2;;/h3-5,9H,6H2,1-2H3;2*1H
• InChIKey: GTBFJCJHZNYRDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(6-methylpyridin-2-yl)methyl]amine dihydrochloride
• IUPAC Traditional name: methyl[(6-methylpyridin-2-yl)methyl]amine dihydrochloride
• Synonyms: methyl[(6-methylpyridin-2-yl)methyl]amine dihydrochloride

Database IDs

• MDL Number: MFCD19982575
• PubChem SID: 164334370
• PubChem CID: 53536955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2646544
• LogD (pH = 7.4): -0.5851144
• Log P: 0.5267643
• Molar Refractivity: 41.2184 cm^3
• Polarizability: 16.418179 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 0.512

Product Information

• Purity: 95%