1-(2-bromophenyl)cyclobutan-1-amine

• ChemBase ID: 804349
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: C1(CCC1)(N)c1c(cccc1)Br
• Canonical SMILES: Brc1ccccc1C1(N)CCC1
• InChI: InChI=1S/C10H12BrN/c11-9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7,12H2
• InChIKey: ODEDRBYIFZGIBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromophenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(2-bromophenyl)cyclobutan-1-amine
• Synonyms: 1-(2-BROMOPHENYL)CYCLOBUTANAMINE

Database IDs

• CAS Number: 1228994-69-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.29606625
• LogD (pH = 7.4): 0.55509686
• Log P: 2.7016687
• Molar Refractivity: 53.856 cm^3
• Polarizability: 21.194056 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%