1-(6-methylpyridin-3-yl)ethan-1-amine

• ChemBase ID: 307385
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1cc(ccc1C)C(N)C
• Canonical SMILES: Cc1ccc(cn1)C(N)C
• InChI: InChI=1S/C8H12N2/c1-6-3-4-8(5-10-6)7(2)9/h3-5,7H,9H2,1-2H3
• InChIKey: GLTIIUKSLNSXKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methylpyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(6-methylpyridin-3-yl)ethanamine
• Synonyms: 1-(6-methylpyridin-3-yl)ethanamine; 1-(6-METHYL-PYRIDIN-3-YL)-ETHYLAMINE

Database IDs

• CAS Number: 92295-43-7
• MDL Number: MFCD09864336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.56312
• LogD (pH = 7.4): -1.5780442
• Log P: 0.42928702
• Molar Refractivity: 41.3848 cm^3
• Polarizability: 16.416897 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%