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

• ChemBase ID: 800535
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: C1(CCC1)(N)c1cc(ncc1)Cl
• Canonical SMILES: Clc1nccc(c1)C1(N)CCC1
• InChI: InChI=1S/C9H11ClN2/c10-8-6-7(2-5-12-8)9(11)3-1-4-9/h2,5-6H,1,3-4,11H2
• InChIKey: MKRUROUJBPACEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloropyridin-4-yl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(2-chloropyridin-4-yl)cyclobutan-1-amine
• Synonyms: 1-(2-CHLOROPYRIDIN-4-YL)CYCLOBUTANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4497958
• LogD (pH = 7.4): -0.52165514
• Log P: 1.5394655
• Molar Refractivity: 49.9424 cm^3
• Polarizability: 19.514936 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%