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

• ChemBase ID: 815439
• Molecular Formular: C8H9ClN2
• Molecular Mass: 168.62346
• Monoisotopic Mass: 168.04542598
• SMILES: C1(CC1)(N)c1nccc(c1)Cl
• Canonical SMILES: NC1(CC1)c1nccc(c1)Cl
• InChI: InChI=1S/C8H9ClN2/c9-6-1-4-11-7(5-6)8(10)2-3-8/h1,4-5H,2-3,10H2
• InChIKey: ZSFRKZNUNCLZIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chloropyridin-2-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-chloropyridin-2-yl)cyclopropan-1-amine
• Synonyms: 1-(4-chloropyridin-2-yl)cyclopropanamine

Database IDs

• CAS Number: 1060808-97-0

CALCULATED PROPERTIES

• Log P: 1.26057
• Molar Refractivity: 43.9081 cm^3
• Polarizability: 17.617533 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4729302
• LogD (pH = 7.4): 0.10020199

PROPERTIES

Product Information

• Purity: 98%