4-methylpyridine-2,6-diamine

• ChemBase ID: 294149
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1nc(N)cc(C)c1
• Canonical SMILES: Cc1cc(N)nc(c1)N
• InChI: InChI=1S/C6H9N3/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3,(H4,7,8,9)
• InChIKey: HUQGLWLBOCSVMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyridine-2,6-diamine
• IUPAC Traditional name: 4-methylpyridine-2,6-diamine
• Synonyms: 4-Methylpyridine-2,6-diamine

Database IDs

• CAS Number: 38439-33-7
• PubChem SID: 180679680
• PubChem CID: 3015981

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1851113
• LogD (pH = 7.4): -0.733063
• Log P: 0.80005795
• Molar Refractivity: 38.9701 cm^3
• Polarizability: 13.471207 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%