3-(6-chloropyridin-2-yl)propan-1-amine

• ChemBase ID: 814898
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: C(CCc1nc(ccc1)Cl)N
• Canonical SMILES: NCCCc1cccc(n1)Cl
• InChI: InChI=1S/C8H11ClN2/c9-8-5-1-3-7(11-8)4-2-6-10/h1,3,5H,2,4,6,10H2
• InChIKey: VGEYFRRKALQOKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-chloropyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-(6-chloropyridin-2-yl)propan-1-amine
• Synonyms: 3-(6-chloropyridin-2-yl)propan-1-amine

Database IDs

• CAS Number: 1060812-02-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7072313
• LogD (pH = 7.4): -1.1836284
• Log P: 1.3127095
• Molar Refractivity: 47.1728 cm^3
• Polarizability: 18.32899 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%