(2,6-dimethylpyridin-4-yl)methanamine dihydrochloride

• ChemBase ID: 90575
• Molecular Formular: C8H14Cl2N2
• Molecular Mass: 209.11616
• Monoisotopic Mass: 208.05340382
• SMILES: n1c(cc(cc1C)CN)C.Cl.Cl
• Canonical SMILES: NCc1cc(C)nc(c1)C.Cl.Cl
• InChI: InChI=1S/C8H12N2.2ClH/c1-6-3-8(5-9)4-7(2)10-6;;/h3-4H,5,9H2,1-2H3;2*1H
• InChIKey: ZEWVXNUCTKQQAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dimethylpyridin-4-yl)methanamine dihydrochloride
• IUPAC Traditional name: (2,6-dimethylpyridin-4-yl)methanamine dihydrochloride
• Synonyms: (2,6-Dimethylpyridin-4-yl)methylamine dihydrochloride; 4-(Aminomethyl)-2,6-dimethylpyridine dihydrochloride

Database IDs

• PubChem SID: 162104773
• PubChem CID: 51342013

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.883219
• LogD (pH = 7.4): -1.8126571
• Log P: 0.14408216
• Molar Refractivity: 41.5575 cm^3
• Polarizability: 16.337837 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful