(6-methylpyridin-2-yl)methanamine dihydrochloride

• ChemBase ID: 292912
• Molecular Formular: C7H12Cl2N2
• Molecular Mass: 195.08958
• Monoisotopic Mass: 194.03775375
• SMILES: Cl.Cl.Cc1cccc(CN)n1
• Canonical SMILES: NCc1cccc(n1)C.Cl.Cl
• InChI: InChI=1S/C7H10N2.2ClH/c1-6-3-2-4-7(5-8)9-6;;/h2-4H,5,8H2,1H3;2*1H
• InChIKey: JVVKMXGAWNLVLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpyridin-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (6-methylpyridin-2-yl)methanamine dihydrochloride
• Synonyms: (6-Methylpyridin-2-yl)methanamine dihydrochloride

Database IDs

• CAS Number: 858838-82-1
• PubChem SID: 180678443
• PubChem CID: 70096601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6541448
• LogD (pH = 7.4): -1.0896844
• Log P: 0.094183885
• Molar Refractivity: 36.4438 cm^3
• Polarizability: 14.571964 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%