6-methylpyridine-3,4-diamine

• ChemBase ID: 290266
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Cc1cc(N)c(N)cn1
• Canonical SMILES: Cc1ncc(c(c1)N)N
• InChI: InChI=1S/C6H9N3/c1-4-2-5(7)6(8)3-9-4/h2-3H,8H2,1H3,(H2,7,9)
• InChIKey: OGCOZWIGCBYCDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 861199-62-4
• PubChem SID: 180675797
• PubChem CID: 19890743

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+%; 98%