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

• ChemBase ID: 308640
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(ccc(c1)C)C(N)C
• Canonical SMILES: Cc1ccc(nc1)C(N)C
• InChI: InChI=1S/C8H12N2/c1-6-3-4-8(7(2)9)10-5-6/h3-5,7H,9H2,1-2H3
• InChIKey: XXAOROMGOIPMQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(5-methylpyridin-2-yl)ethanamine
• Synonyms: 1-(5-methyl-2-pyridinyl)ethanamine

Database IDs

• CAS Number: 885277-04-3
• MDL Number: MFCD06658490

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8019583
• LogD (pH = 7.4): -0.36344948
• Log P: 1.0449994
• Molar Refractivity: 41.3874 cm^3
• Polarizability: 16.417557 Å^3
• Polar Surface Area: 38.91 Å^2