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

• ChemBase ID: 241311
• Molecular Formular: C9H10BrN
• Molecular Mass: 212.0864
• Monoisotopic Mass: 210.99966133
• SMILES: C1(c2c(Br)cccc2)(CC1)N
• Canonical SMILES: Brc1ccccc1C1(N)CC1
• InChI: InChI=1S/C9H10BrN/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,11H2
• InChIKey: ZNEIQQJRUBZVCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-bromophenyl)cyclopropan-1-amine
• Synonyms: 1-(2-bromophenyl)cyclopropan-1-amine; 1-(2-Bromophenyl)cyclopropanamine

Database IDs

• CAS Number: 604799-96-4
• MDL Number: MFCD07374466
• PubChem SID: 164297221
• PubChem CID: 10921794

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

Physical Property

• Hydrophobicity(logP): 2.301

Product Information

• Purity: 95%; 95+%; 98%