1-(2,4-dichlorophenyl)cyclobutan-1-amine

• ChemBase ID: 804249
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: C1(CCC1)(N)c1c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)C1(N)CCC1
• InChI: InChI=1S/C10H11Cl2N/c11-7-2-3-8(9(12)6-7)10(13)4-1-5-10/h2-3,6H,1,4-5,13H2
• InChIKey: DQUHGNNNJXWLDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dichlorophenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(2,4-dichlorophenyl)cyclobutan-1-amine
• Synonyms: 1-(2,4-DICHLOROPHENYL)CYCLOBUTANAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15341468
• LogD (pH = 7.4): 1.095058
• Log P: 3.1410055
• Molar Refractivity: 55.8428 cm^3
• Polarizability: 22.227219 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%