[1-(4-bromophenyl)cyclopropyl]methanamine

• ChemBase ID: 290508
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: NCC1(c2ccc(Br)cc2)CC1
• Canonical SMILES: NCC1(CC1)c1ccc(cc1)Br
• InChI: InChI=1S/C10H12BrN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2
• InChIKey: SOZRMVNRGDOZBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-bromophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(4-bromophenyl)cyclopropyl]methanamine
• Synonyms: (1-(4-Bromophenyl)cyclopropyl)methanamine; C-[1-(4-BROMO-PHENYL)-CYCLOPROPYL]-METHYLAMINE

Database IDs

• CAS Number: 771583-34-7
• PubChem SID: 180676039
• PubChem CID: 28937846

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.54977393
• LogD (pH = 7.4): 0.4085002
• Log P: 2.4356759
• Molar Refractivity: 53.9767 cm^3
• Polarizability: 21.121655 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%