1-(4-methylpyridin-2-yl)ethan-1-amine

• ChemBase ID: 308709
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(nccc(c1)C)C(N)C
• Canonical SMILES: Cc1ccnc(c1)C(N)C
• InChI: InChI=1S/C8H12N2/c1-6-3-4-10-8(5-6)7(2)9/h3-5,7H,9H2,1-2H3
• InChIKey: YYIROKBEKIVBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(4-methylpyridin-2-yl)ethanamine
• Synonyms: 1-(4-methyl-2-pyridinyl)ethanamine

Database IDs

• CAS Number: 58088-63-4
• MDL Number: MFCD06658489

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7954209
• LogD (pH = 7.4): -0.34459385
• Log P: 1.0449994
• Molar Refractivity: 41.3874 cm^3
• Polarizability: 16.41597 Å^3
• Polar Surface Area: 38.91 Å^2