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

• ChemBase ID: 306640
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(c(C)ccc1)CCN
• Canonical SMILES: NCCc1ncccc1C
• InChI: InChI=1S/C8H12N2/c1-7-3-2-6-10-8(7)4-5-9/h2-3,6H,4-5,9H2,1H3
• InChIKey: DZBIXJNIABTHHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-methylpyridin-2-yl)ethanamine
• Synonyms: 2-(3-methylpyridin-2-yl)ethanamine

Database IDs

• CAS Number: 851670-19-4
• MDL Number: MFCD07367941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3201528
• LogD (pH = 7.4): -1.444963
• Log P: 0.71324784
• Molar Refractivity: 41.5929 cm^3
• Polarizability: 16.340956 Å^3
• Polar Surface Area: 38.91 Å^2