(4-bromophenyl)(cyclobutyl)methanamine hydrochloride

• ChemBase ID: 261499
• Molecular Formular: C11H15BrClN
• Molecular Mass: 276.6005
• Monoisotopic Mass: 275.00763917
• SMILES: C(c1ccc(cc1)Br)(C1CCC1)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)Br)C1CCC1.Cl
• InChI: InChI=1S/C11H14BrN.ClH/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8;/h4-8,11H,1-3,13H2;1H
• InChIKey: YMMWYFYGXSVGJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)(cyclobutyl)methanamine hydrochloride
• IUPAC Traditional name: (4-bromophenyl)(cyclobutyl)methanamine hydrochloride
• Synonyms: (4-bromophenyl)(cyclobutyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD12912905
• PubChem SID: 164317409
• PubChem CID: 45791815

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.14439648
• LogD (pH = 7.4): 0.8719622
• Log P: 3.15268
• Molar Refractivity: 58.3674 cm^3
• Polarizability: 23.022423 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 322 - 324°C
• Hydrophobicity(logP): 3.269

Product Information

• Purity: 95%