2-(2-methylpyridin-3-yl)ethan-1-amine

• ChemBase ID: 814721
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(Cc1c(nccc1)C)N
• Canonical SMILES: Cc1ncccc1CCN
• InChI: InChI=1S/C8H12N2/c1-7-8(4-5-9)3-2-6-10-7/h2-3,6H,4-5,9H2,1H3
• InChIKey: SXMVJDCOISNPAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methylpyridin-3-yl)ethanamine
• Synonyms: 2-(2-methylpyridin-3-yl)ethanamine

Database IDs

• CAS Number: 504404-51-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7439437
• LogD (pH = 7.4): -1.9464458
• Log P: 0.3013732
• Molar Refractivity: 41.721 cm^3
• Polarizability: 16.340631 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%