2-(4,5-dichloropyridin-2-yl)ethan-1-amine

• ChemBase ID: 814423
• Molecular Formular: C7H8Cl2N2
• Molecular Mass: 191.05782
• Monoisotopic Mass: 190.00645363
• SMILES: C(Cc1ncc(c(c1)Cl)Cl)N
• Canonical SMILES: NCCc1cc(Cl)c(cn1)Cl
• InChI: InChI=1S/C7H8Cl2N2/c8-6-3-5(1-2-10)11-4-7(6)9/h3-4H,1-2,10H2
• InChIKey: XQFDCRSLGXDVDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5-dichloropyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,5-dichloropyridin-2-yl)ethanamine
• Synonyms: 2-(4,5-dichloropyridin-2-yl)ethanamine

Database IDs

• CAS Number: 1196156-97-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5874349
• LogD (pH = 7.4): -0.71273726
• Log P: 1.4079158
• Molar Refractivity: 46.1613 cm^3
• Polarizability: 18.379536 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%