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

• ChemBase ID: 814494
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(Cc1nccc(c1)Cl)N
• Canonical SMILES: NCCc1cc(Cl)ccn1
• InChI: InChI=1S/C7H9ClN2/c8-6-2-4-10-7(5-6)1-3-9/h2,4-5H,1,3,9H2
• InChIKey: ZIWCQVNBMKXMTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060809-10-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1923037
• LogD (pH = 7.4): -1.3153746
• Log P: 0.80387115
• Molar Refractivity: 41.3565 cm^3
• Polarizability: 16.42968 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%