[1-(6-chloropyridin-2-yl)cyclopropyl]methanamine

• ChemBase ID: 814887
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: C(N)C1(CC1)c1nc(ccc1)Cl
• Canonical SMILES: NCC1(CC1)c1cccc(n1)Cl
• InChI: InChI=1S/C9H11ClN2/c10-8-3-1-2-7(12-8)9(6-11)4-5-9/h1-3H,4-6,11H2
• InChIKey: QWVRUEJXMQNMID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-chloropyridin-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(6-chloropyridin-2-yl)cyclopropyl]methanamine
• Synonyms: (1-(6-chloropyridin-2-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060811-83-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3025435
• LogD (pH = 7.4): -0.1982658
• Log P: 1.659323
• Molar Refractivity: 49.6911 cm^3
• Polarizability: 19.441214 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%