6-methylpyridine-2,3-diamine

• ChemBase ID: 286012
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(c(ccc1C)N)N
• Canonical SMILES: Cc1ccc(c(n1)N)N
• InChI: InChI=1S/C6H9N3/c1-4-2-3-5(7)6(8)9-4/h2-3H,7H2,1H3,(H2,8,9)
• InChIKey: XATOCNYGIWXIQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridine-2,3-diamine
• IUPAC Traditional name: 6-methylpyridine-2,3-diamine
• Synonyms: 6-methylpyridine-2,3-diamine; 5,6-DIAMINO-2-PICOLINE

Database IDs

• CAS Number: 33259-72-2
• MDL Number: MFCD03427654
• PubChem SID: 180671543
• PubChem CID: 2734420

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.022112
• LogD (pH = 7.4): -0.84552604
• Log P: -0.17645082
• Molar Refractivity: 38.2069 cm^3
• Polarizability: 13.47296 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

Product Information

• Purity: 95%; 98%