2-(2-bromophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 270890
• Molecular Formular: C9H11BrClN
• Molecular Mass: 248.54734
• Monoisotopic Mass: 246.97633904
• SMILES: C1(CC1N)c1c(Br)cccc1.Cl
• Canonical SMILES: NC1CC1c1ccccc1Br.Cl
• InChI: InChI=1S/C9H10BrN.ClH/c10-8-4-2-1-3-6(8)7-5-9(7)11;/h1-4,7,9H,5,11H2;1H
• InChIKey: DREMIJGUQWOEDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20501895
• PubChem SID: 164326800
• PubChem CID: 54592571

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.886255
• LogD (pH = 7.4): 0.0017539193
• Log P: 2.107635
• Molar Refractivity: 49.3194 cm^3
• Polarizability: 19.29833 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.341

Product Information

• Purity: 95%