(2,6-dimethylpyridin-4-yl)methanamine

• ChemBase ID: 307683
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(cc(cc1C)CN)C
• Canonical SMILES: NCc1cc(C)nc(c1)C
• InChI: InChI=1S/C8H12N2/c1-6-3-8(5-9)4-7(2)10-6/h3-4H,5,9H2,1-2H3
• InChIKey: UEUBEPHODYIOJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dimethylpyridin-4-yl)methanamine
• IUPAC Traditional name: (2,6-dimethylpyridin-4-yl)methanamine
• Synonyms: 1-(2,6-dimethyl-4-pyridinyl)methanamine; (2,6-dimethylpyridin-4-yl)methanamine

Database IDs

• CAS Number: 324571-98-4
• MDL Number: MFCD12400756

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.883219
• LogD (pH = 7.4): -1.8126571
• Log P: 0.14408216
• Molar Refractivity: 41.5575 cm^3
• Polarizability: 16.337837 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%