5-methylpyridine-2,3-diamine

• ChemBase ID: 68002
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1(c(cc(cn1)C)N)N
• Canonical SMILES: Cc1cnc(c(c1)N)N
• InChI: InChI=1S/C6H9N3/c1-4-2-5(7)6(8)9-3-4/h2-3H,7H2,1H3,(H2,8,9)
• InChIKey: AITFREYTVOPXOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyridine-2,3-diamine
• IUPAC Traditional name: 5-methylpyridine-2,3-diamine
• Synonyms: 2,3-Diamino-5-methylpyridine; 5-methylpyridine-2,3-diamine

Database IDs

• CAS Number: 24638-29-7
• MDL Number: MFCD03940651
• PubChem SID: 162033734
• PubChem CID: 10701825

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2249123
• LogD (pH = 7.4): -0.308381
• Log P: 0.2056004
• Molar Refractivity: 38.6566 cm^3
• Polarizability: 13.472676 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.89

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%