4,6-dimethylpyridine-2,3-diamine

• ChemBase ID: 806600
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(c(c(cc1C)C)N)N
• Canonical SMILES: Cc1cc(C)c(c(n1)N)N
• InChI: InChI=1S/C7H11N3/c1-4-3-5(2)10-7(9)6(4)8/h3H,8H2,1-2H3,(H2,9,10)
• InChIKey: KOFVAOOMAVAGHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylpyridine-2,3-diamine
• IUPAC Traditional name: 4,6-dimethylpyridine-2,3-diamine
• Synonyms: 4,6-DIMETHYL-2,3-PYRIDINEDIAMINE

Database IDs

• CAS Number: 50850-16-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5936515
• LogD (pH = 7.4): -0.87144583
• Log P: 0.33697057
• Molar Refractivity: 43.2481 cm^3
• Polarizability: 15.235982 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%