2,5-dimethylpyridin-3-amine

• ChemBase ID: 801120
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(c(cc(c1)C)N)C
• Canonical SMILES: Cc1cnc(c(c1)N)C
• InChI: InChI=1S/C7H10N2/c1-5-3-7(8)6(2)9-4-5/h3-4H,8H2,1-2H3
• InChIKey: OQLYLAOKFUUBBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpyridin-3-amine
• IUPAC Traditional name: 2,5-dimethylpyridin-3-amine
• Synonyms: 2,5-DIMETHYLPYRIDIN-3-AMINE

Database IDs

• CAS Number: 89943-02-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.56586885
• LogD (pH = 7.4): 0.4585313
• Log P: 0.57143897
• Molar Refractivity: 38.2342 cm^3
• Polarizability: 14.100697 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%