1-(4-bromophenyl)cyclopentan-1-amine

• ChemBase ID: 798811
• Molecular Formular: C11H14BrN
• Molecular Mass: 240.13956
• Monoisotopic Mass: 239.03096145
• SMILES: C1(CCCC1)(N)c1ccc(cc1)Br
• Canonical SMILES: NC1(CCCC1)c1ccc(cc1)Br
• InChI: InChI=1S/C11H14BrN/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6H,1-2,7-8,13H2
• InChIKey: KANRSDUCSFJYII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(4-bromophenyl)cyclopentan-1-amine
• Synonyms: 1-(4-bromophenyl)cyclopentanamine

Database IDs

• CAS Number: 1094341-13-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12757052
• LogD (pH = 7.4): 0.67906564
• Log P: 3.1462374
• Molar Refractivity: 58.457 cm^3
• Polarizability: 23.022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%