3-(2-bromophenyl)cyclobutan-1-amine hydrochloride

• ChemBase ID: 270858
• Molecular Formular: C10H13BrClN
• Molecular Mass: 262.57392
• Monoisotopic Mass: 260.9919891
• SMILES: C1(c2c(Br)cccc2)CC(C1)N.Cl
• Canonical SMILES: NC1CC(C1)c1ccccc1Br.Cl
• InChI: InChI=1S/C10H12BrN.ClH/c11-10-4-2-1-3-9(10)7-5-8(12)6-7;/h1-4,7-8H,5-6,12H2;1H
• InChIKey: WHWREYHVYOQULQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-bromophenyl)cyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 3-(2-bromophenyl)cyclobutan-1-amine hydrochloride
• Synonyms: 3-(2-bromophenyl)cyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD17977012
• PubChem SID: 164326768
• PubChem CID: 50988663

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5462084
• LogD (pH = 7.4): -0.034558635
• Log P: 2.47425
• Molar Refractivity: 53.9974 cm^3
• Polarizability: 21.124697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.52

Product Information

• Purity: 95%