2,6-dimethylpyridin-4-amine

• ChemBase ID: 63928
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(cc(cc1C)N)C
• Canonical SMILES: Nc1cc(C)nc(c1)C
• InChI: InChI=1S/C7H10N2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3,(H2,8,9)
• InChIKey: ZJXMKPARTVOUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpyridin-4-amine
• IUPAC Traditional name: 2,6-dimethyl-pyridin-4-ylamine
• Synonyms: 2,6-Dimethylpyridin-4-amine; 4-Amino-2,6-dimethylpyridine; 2,6-DIMETHYL-PYRIDIN-4-YLAMINE; 2,6-dimethylpyridin-4-amine; 2,6-Dimethylpyridin-4yl-amine

Database IDs

• CAS Number: 3512-80-9
• MDL Number: MFCD00130078
• PubChem SID: 162029667
• PubChem CID: 77047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7234823
• LogD (pH = 7.4): -1.4839368
• Log P: 0.18938777
• Molar Refractivity: 37.7845 cm^3
• Polarizability: 14.096599 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.316

Safety Information

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

Product Information

• Purity: 95%; 98%