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

• ChemBase ID: 292941
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: NCCc1nc(Cl)ccc1
• Canonical SMILES: NCCc1cccc(n1)Cl
• InChI: InChI=1S/C7H9ClN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4-5,9H2
• InChIKey: KBUXRBXZTNWIHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 933734-79-3
• PubChem SID: 180678472
• PubChem CID: 53416325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9716904
• LogD (pH = 7.4): -1.1009436
• Log P: 1.0240483
• Molar Refractivity: 42.4178 cm^3
• Polarizability: 16.488958 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%