methyl[(5-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 814944
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(NC)c1ncc(cc1)C
• Canonical SMILES: CNCc1ccc(cn1)C
• InChI: InChI=1S/C8H12N2/c1-7-3-4-8(6-9-2)10-5-7/h3-5,9H,6H2,1-2H3
• InChIKey: OHNBCWHCSGAXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-methylpyridin-2-yl)methyl]amine
• Synonyms: N-methyl-1-(5-methylpyridin-2-yl)methanamine

Database IDs

• CAS Number: 1060801-52-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8915248
• LogD (pH = 7.4): -0.21734095
• Log P: 0.9088155
• Molar Refractivity: 41.6681 cm^3
• Polarizability: 16.417889 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%