5,6-dimethylpyridine-2,3-diamine

• ChemBase ID: 801128
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(c(cc(c1C)C)N)N
• Canonical SMILES: Cc1nc(N)c(cc1C)N
• InChI: InChI=1S/C7H11N3/c1-4-3-6(8)7(9)10-5(4)2/h3H,8H2,1-2H3,(H2,9,10)
• InChIKey: COXFHACSZRWMQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethylpyridine-2,3-diamine
• IUPAC Traditional name: 5,6-dimethylpyridine-2,3-diamine
• Synonyms: 5,6-DIMETHYLPYRIDINE-2,3-DIAMINE

Database IDs

• CAS Number: 98432-14-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5690658
• LogD (pH = 7.4): -0.62799704
• Log P: 0.33697057
• Molar Refractivity: 43.2481 cm^3
• Polarizability: 15.236514 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%