3-methylpyridine-2,6-diamine

• ChemBase ID: 294688
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Cc1ccc(N)nc1N
• Canonical SMILES: Nc1ccc(c(n1)N)C
• InChI: InChI=1S/C6H9N3/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3,(H4,7,8,9)
• InChIKey: XKDZQCLCLGOJHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridine-2,6-diamine
• IUPAC Traditional name: 3-methylpyridine-2,6-diamine
• Synonyms: 3-Methylpyridine-2,6-diamine

Database IDs

• CAS Number: 51566-22-4
• MDL Number: MFCD08062941
• PubChem SID: 180680219
• PubChem CID: 103907

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1845504
• LogD (pH = 7.4): -0.7181897
• Log P: 0.80005795
• Molar Refractivity: 38.9701 cm^3
• Polarizability: 13.471943 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%