1-(6-chloropyridin-2-yl)ethan-1-amine

• ChemBase ID: 814896
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(C)(N)c1nc(ccc1)Cl
• Canonical SMILES: Clc1cccc(n1)C(N)C
• InChI: InChI=1S/C7H9ClN2/c1-5(9)6-3-2-4-7(8)10-6/h2-5H,9H2,1H3
• InChIKey: BKQIIQHHFWJFAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-chloropyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(6-chloropyridin-2-yl)ethanamine
• Synonyms: 1-(6-chloropyridin-2-yl)ethanamine

Database IDs

• CAS Number: 1060811-97-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4673586
• LogD (pH = 7.4): 0.0061218957
• Log P: 1.3557998
• Molar Refractivity: 42.2123 cm^3
• Polarizability: 16.562658 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%