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

• ChemBase ID: 804375
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(Cc1cc(ncc1)C)N
• Canonical SMILES: NCCc1ccnc(c1)C
• InChI: InChI=1S/C8H12N2/c1-7-6-8(2-4-9)3-5-10-7/h3,5-6H,2,4,9H2,1H3
• InChIKey: ITTRLSPJQVRVLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methylpyridin-4-yl)ethanamine
• Synonyms: 2-(2-METHYLPYRIDIN-4-YL)ETHANAMINE

Database IDs

• CAS Number: 625438-03-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4409509
• LogD (pH = 7.4): -1.9954735
• Log P: 0.3013732
• Molar Refractivity: 41.721 cm^3
• Polarizability: 16.339289 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%