(5,6-dimethylpyridin-2-yl)methanamine

• ChemBase ID: 799168
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(N)c1nc(c(cc1)C)C
• Canonical SMILES: NCc1ccc(c(n1)C)C
• InChI: InChI=1S/C8H12N2/c1-6-3-4-8(5-9)10-7(6)2/h3-4H,5,9H2,1-2H3
• InChIKey: HITBXYYBJWZHOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5,6-dimethylpyridin-2-yl)methanamine
• IUPAC Traditional name: (5,6-dimethylpyridin-2-yl)methanamine
• Synonyms: (5,6-dimethylpyridin-2-yl)methanamine

Database IDs

• CAS Number: 543713-56-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1628413
• LogD (pH = 7.4): -0.61069673
• Log P: 0.6076053
• Molar Refractivity: 41.485 cm^3
• Polarizability: 16.338558 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%