[1-(4-chloropyridin-2-yl)cyclopropyl]methanamine

• ChemBase ID: 815138
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: C(N)C1(CC1)c1nccc(c1)Cl
• Canonical SMILES: NCC1(CC1)c1nccc(c1)Cl
• InChI: InChI=1S/C9H11ClN2/c10-7-1-4-12-8(5-7)9(6-11)2-3-9/h1,4-5H,2-3,6,11H2
• InChIKey: QIQXFHMOZPJIIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-chloropyridin-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(4-chloropyridin-2-yl)cyclopropyl]methanamine
• Synonyms: (1-(4-chloropyridin-2-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060809-02-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5222316
• LogD (pH = 7.4): -0.41305736
• Log P: 1.4391458
• Molar Refractivity: 48.6298 cm^3
• Polarizability: 19.381733 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%