2-N,6-dimethylpyridine-2,3-diamine

• ChemBase ID: 289843
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: Nc1ccc(C)nc1NC
• Canonical SMILES: CNc1nc(C)ccc1N
• InChI: InChI=1S/C7H11N3/c1-5-3-4-6(8)7(9-2)10-5/h3-4H,8H2,1-2H3,(H,9,10)
• InChIKey: IOZCGIPHFGISTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,6-dimethylpyridine-2,3-diamine
• IUPAC Traditional name: 2-N,6-dimethylpyridine-2,3-diamine
• Synonyms: N2,6-Dimethylpyridine-2,3-diamine

Database IDs

• CAS Number: 155790-09-3
• PubChem SID: 180675374
• PubChem CID: 22036951

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6784874
• LogD (pH = 7.4): -0.42586643
• Log P: 0.12525326
• Molar Refractivity: 43.7003 cm^3
• Polarizability: 15.313606 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%