2,3-dimethylpyridin-4-amine

• ChemBase ID: 239923
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1(c(nccc1N)C)C
• Canonical SMILES: Cc1c(N)ccnc1C
• InChI: InChI=1S/C7H10N2/c1-5-6(2)9-4-3-7(5)8/h3-4H,1-2H3,(H2,8,9)
• InChIKey: YHUUZKCUQVILTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylpyridin-4-amine
• IUPAC Traditional name: 2,3-dimethylpyridin-4-amine
• Synonyms: 2,3-dimethylpyridin-4-amine; 2,3-Dimethyl-4-pyridinamine

Database IDs

• CAS Number: 122475-57-4
• MDL Number: MFCD00030819
• PubChem SID: 164295833
• PubChem CID: 7330471

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.87854904
• LogD (pH = 7.4): -0.796277
• Log P: 0.57143897
• Molar Refractivity: 38.2342 cm^3
• Polarizability: 14.09631 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.216

Product Information

• Purity: 95%; 95+%