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

• ChemBase ID: 806678
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(Cc1cc(ncc1)Cl)N
• Canonical SMILES: NCCc1ccnc(c1)Cl
• InChI: InChI=1S/C7H9ClN2/c8-7-5-6(1-3-9)2-4-10-7/h2,4-5H,1,3,9H2
• InChIKey: KJNBAXYFZQRUAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloropyridin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-chloropyridin-4-yl)ethanamine
• Synonyms: 2-(2-CHLOROPYRIDIN-4-YL)ETHAN-1-AMINE

Database IDs

• CAS Number: 910388-12-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0113943
• LogD (pH = 7.4): -1.2480763
• Log P: 0.9942249
• Molar Refractivity: 42.9956 cm^3
• Polarizability: 16.487286 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%