3,5-dimethylpyridin-4-amine

• ChemBase ID: 63828
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1(c(cncc1C)C)N
• Canonical SMILES: Cc1cncc(c1N)C
• InChI: InChI=1S/C7H10N2/c1-5-3-9-4-6(2)7(5)8/h3-4H,1-2H3,(H2,8,9)
• InChIKey: QFLLABOTLITCPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylpyridin-4-amine
• IUPAC Traditional name: 3,5-dimethylpyridin-4-amine
• Synonyms: 3,5-Dimethylpyridine-4-amine; 3,5-Dimethylpyridin-4-amine; 4-Amino-3,5-lutidine; 4-Amino-3,5-dimethylpyridine

Database IDs

• CAS Number: 43078-60-0
• MDL Number: MFCD03413657
• PubChem SID: 162029567
• PubChem CID: 12235083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.031525407
• LogD (pH = 7.4): -0.00958753
• Log P: 0.9534902
• Molar Refractivity: 38.6839 cm^3
• Polarizability: 14.096374 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%