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

• ChemBase ID: 90675
• Molecular Formular: C9H11BrClN
• Molecular Mass: 248.54734
• Monoisotopic Mass: 246.97633904
• SMILES: Brc1c(cccc1)C1(CC1)N.Cl
• Canonical SMILES: Brc1ccccc1C1(N)CC1.Cl
• InChI: InChI=1S/C9H10BrN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
• InChIKey: RQFJXDYDGAAUPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-bromophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-Amino-1-(2-bromophenyl)cyclopropane hydrochloride; 1-(1-Aminocycloprop-1-yl)-2-bromobenzene; 1-(2-Bromophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• PubChem SID: 162104791
• PubChem CID: 53256953

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.71758085
• LogD (pH = 7.4): 0.31465825
• Log P: 2.2571
• Molar Refractivity: 49.255 cm^3
• Polarizability: 19.367945 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Light Sensitive