2,5-dimethylpyridin-4-amine

• ChemBase ID: 241565
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1(c(cnc(c1)C)C)N
• Canonical SMILES: Cc1ncc(c(c1)N)C
• InChI: InChI=1S/C7H10N2/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3,(H2,8,9)
• InChIKey: KQCWCIYVDIVYAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpyridin-4-amine
• IUPAC Traditional name: 2,5-dimethylpyridin-4-amine
• Synonyms: 2,5-dimethylpyridin-4-amine; 2,5-DIMETHYL-4-PYRIDINAMINE

Database IDs

• CAS Number: 22279-89-6
• MDL Number: MFCD00235163
• PubChem SID: 164297475
• PubChem CID: 4175799

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.87850016
• LogD (pH = 7.4): -0.7931249
• Log P: 0.57143897
• Molar Refractivity: 38.2342 cm^3
• Polarizability: 14.096109 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.266

Product Information

• Purity: 95%; 98%