2-(4-bromophenyl)cyclopropan-1-amine

• ChemBase ID: 267642
• Molecular Formular: C9H10BrN
• Molecular Mass: 212.0864
• Monoisotopic Mass: 210.99966133
• SMILES: C1(CC1N)c1ccc(cc1)Br
• Canonical SMILES: NC1CC1c1ccc(cc1)Br
• InChI: InChI=1S/C9H10BrN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2
• InChIKey: XRLLHILOPOQXRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(4-bromophenyl)cyclopropan-1-amine
• Synonyms: 2-(4-bromophenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11936661
• PubChem SID: 164323552
• PubChem CID: 21190524

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8909914
• LogD (pH = 7.4): -0.04889457
• Log P: 2.107635
• Molar Refractivity: 49.3194 cm^3
• Polarizability: 19.296873 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.341

Product Information

• Purity: 95%