6-methylpyridine-3,4-diamine dihydrochloride

• ChemBase ID: 289371
• Molecular Formular: C6H11Cl2N3
• Molecular Mass: 196.07764
• Monoisotopic Mass: 195.03300273
• SMILES: Cl.Cl.Cc1cc(N)c(N)cn1
• Canonical SMILES: Cc1ncc(c(c1)N)N.Cl.Cl
• InChI: InChI=1S/C6H9N3.2ClH/c1-4-2-5(7)6(8)3-9-4;;/h2-3H,8H2,1H3,(H2,7,9);2*1H
• InChIKey: JRQTXAVXNKCMPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridine-3,4-diamine dihydrochloride
• IUPAC Traditional name: 6-methylpyridine-3,4-diamine dihydrochloride
• Synonyms: 6-Methylpyridine-3,4-diamine dihydrochloride

Database IDs

• CAS Number: 861019-06-9
• PubChem SID: 180674902
• PubChem CID: 70700317

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.220692
• LogD (pH = 7.4): -2.1255937
• Log P: -0.77090836
• Molar Refractivity: 37.8934 cm^3
• Polarizability: 13.468998 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%