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

• ChemBase ID: 272023
• Molecular Formular: C9H11BrClN
• Molecular Mass: 248.54734
• Monoisotopic Mass: 246.97633904
• SMILES: C1(CC1N)c1cc(Br)ccc1.Cl
• Canonical SMILES: NC1CC1c1cccc(c1)Br.Cl
• InChI: InChI=1S/C9H10BrN.ClH/c10-7-3-1-2-6(4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H
• InChIKey: PDPFGIOAIWJVJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18089481
• PubChem SID: 164327933
• PubChem CID: 50988676

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.88993144
• LogD (pH = 7.4): -0.03707795
• Log P: 2.107635
• Molar Refractivity: 49.3194 cm^3
• Polarizability: 19.297003 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 2.341

Product Information

• Purity: 95%