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

• ChemBase ID: 58909
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1c(nc(cc1)CCN)C
• Canonical SMILES: Cc1cccc(n1)CCN
• InChI: InChI=1S/C8H12N2/c1-7-3-2-4-8(10-7)5-6-9/h2-4H,5-6,9H2,1H3
• InChIKey: CDTHKXWPZVCHBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-methylpyridin-2-yl)ethanamine
• Synonyms: [2-(6-Methylpyridin-2-yl)ethyl]amine; 2-(6-methylpyridin-2-yl)ethanamine

Database IDs

• CAS Number: 19363-94-1
• MDL Number: MFCD04038443
• PubChem SID: 162063672
• PubChem CID: 1514165

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7288566
• LogD (pH = 7.4): -1.8193576
• Log P: 0.3311966
• Molar Refractivity: 41.1432 cm^3
• Polarizability: 16.341263 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%