2-(2,6-dimethylpyridin-4-yl)ethan-1-amine

• ChemBase ID: 804220
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: NCCc1cc(nc(c1)C)C
• Canonical SMILES: NCCc1cc(C)nc(c1)C
• InChI: InChI=1S/C9H14N2/c1-7-5-9(3-4-10)6-8(2)11-7/h5-6H,3-4,10H2,1-2H3
• InChIKey: SVHQGCGNRHMJSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,6-dimethylpyridin-4-yl)ethanamine
• Synonyms: 2-(2,6-DIMETHYL-PYRIDIN-4-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9253588
• LogD (pH = 7.4): -1.9785465
• Log P: 0.43274337
• Molar Refractivity: 46.3125 cm^3
• Polarizability: 18.106228 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%