3,6-dimethylpyridin-2-amine

• ChemBase ID: 290036
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: Cc1ccc(C)c(N)n1
• Canonical SMILES: Cc1ccc(c(n1)N)C
• InChI: InChI=1S/C7H10N2/c1-5-3-4-6(2)9-7(5)8/h3-4H,1-2H3,(H2,8,9)
• InChIKey: HWMKUXXLKIOVQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dimethylpyridin-2-amine
• IUPAC Traditional name: 3,6-dimethylpyridin-2-amine
• Synonyms: 3,6-Dimethyl-2-pyridinamine

Database IDs

• CAS Number: 823-61-0
• MDL Number: MFCD06637718
• PubChem SID: 180675567
• PubChem CID: 578956

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6789467
• LogD (pH = 7.4): 0.4995592
• Log P: 1.1658965
• Molar Refractivity: 38.5477 cm^3
• Polarizability: 14.100299 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%