1-(4-chloropyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 815136
• Molecular Formular: C8H9ClN2
• Molecular Mass: 168.62346
• Monoisotopic Mass: 168.04542598
• SMILES: C1(CC1)(N)c1cnccc1Cl
• Canonical SMILES: Clc1ccncc1C1(N)CC1
• InChI: InChI=1S/C8H9ClN2/c9-7-1-4-11-5-6(7)8(10)2-3-8/h1,4-5H,2-3,10H2
• InChIKey: YCLPRMUFZMTZKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chloropyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-chloropyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-(4-chloropyridin-3-yl)cyclopropanamine

Database IDs

• CAS Number: 1060808-98-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0282693
• LogD (pH = 7.4): -0.70971304
• Log P: 0.87471974
• Molar Refractivity: 44.2801 cm^3
• Polarizability: 17.621098 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%