2-(6-methylpyridin-3-yl)ethan-1-amine

• ChemBase ID: 273226
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(ccc(c1)CCN)C
• Canonical SMILES: NCCc1ccc(nc1)C
• InChI: InChI=1S/C8H12N2/c1-7-2-3-8(4-5-9)6-10-7/h2-3,6H,4-5,9H2,1H3
• InChIKey: YTAUZLFLNPDEER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methylpyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-methylpyridin-3-yl)ethanamine
• Synonyms: 2-(6-methylpyridin-3-yl)ethan-1-amine; 2-(6-METHYLPYRIDIN-3-YL)ETHANAMINE

Database IDs

• CAS Number: 90196-84-2
• MDL Number: MFCD09924568
• PubChem SID: 164329136
• PubChem CID: 23077770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7402823
• LogD (pH = 7.4): -1.9531833
• Log P: 0.3013732
• Molar Refractivity: 41.721 cm^3
• Polarizability: 16.340408 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.435

Product Information

• Purity: 95%; 98%