3,4-dimethylpyridin-2-amine

• ChemBase ID: 288556
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: Cc1c(C)c(N)ncc1
• Canonical SMILES: Cc1c(C)ccnc1N
• InChI: InChI=1S/C7H10N2/c1-5-3-4-9-7(8)6(5)2/h3-4H,1-2H3,(H2,8,9)
• InChIKey: GJHFAHVMZHRUFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethylpyridin-2-amine
• IUPAC Traditional name: 3,4-dimethylpyridin-2-amine
• Synonyms: 2-Amino-3,4-dimethylpyridine; 3,4-DiMethylpyridin-2-aMine

Database IDs

• CAS Number: 823-39-2
• PubChem SID: 180674087
• PubChem CID: 11007884

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.0930874
• LogD (pH = 7.4): 0.8734544
• Log P: 1.5479478
• Molar Refractivity: 38.9974 cm^3
• Polarizability: 14.098808 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%