2-methylpyridine-3,4-diamine

• ChemBase ID: 294313
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Cc1nccc(N)c1N
• Canonical SMILES: Nc1c(N)ccnc1C
• InChI: InChI=1S/C6H9N3/c1-4-6(8)5(7)2-3-9-4/h2-3H,8H2,1H3,(H2,7,9)
• InChIKey: CXCMHIHWZCWXQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyridine-3,4-diamine
• IUPAC Traditional name: 2-methylpyridine-3,4-diamine
• Synonyms: 2-Methylpyridine-3,4-diamine

Database IDs

• CAS Number: 15931-19-8
• MDL Number: MFCD10000599
• PubChem SID: 180679844
• PubChem CID: 19088666

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2209315
• LogD (pH = 7.4): -2.1408947
• Log P: -0.77090836
• Molar Refractivity: 37.8934 cm^3
• Polarizability: 13.469677 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%