2-(5-methylpyridin-3-yl)ethan-1-amine

• ChemBase ID: 804381
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: NCCc1cncc(c1)C
• Canonical SMILES: NCCc1cncc(c1)C
• InChI: InChI=1S/C8H12N2/c1-7-4-8(2-3-9)6-10-5-7/h4-6H,2-3,9H2,1H3
• InChIKey: UQUMRBZCKOHHLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methylpyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methylpyridin-3-yl)ethanamine
• Synonyms: 2-(5-METHYL-PYRIDIN-3-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3470876
• LogD (pH = 7.4): -1.5517527
• Log P: 0.6834244
• Molar Refractivity: 42.1707 cm^3
• Polarizability: 16.340483 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%