4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide

Base Information

• Chemical Name: 4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
• CAS No.: 67579-24-2
• Molecular Formula: C15H21BrN2O
• Molecular Weight: 325.24400
• DSSTox Substance ID: DTXSID90867280
• Mol file: 67579-24-2.mol

Synonyms:SCHEMBL10697265;4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide;DTXSID90867280;trans-4-bromo-N-[2-(dimethylamino)cyclohexyl]-benzamide;2418521-61-4

Chemical Property of 4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide

Chemical Property:

• Vapor Pressure: 4.18E-08mmHg at 25°C
• Boiling Point: 444.7oC at 760 mmHg
• PKA: 13.85±0.40(Predicted)
• Flash Point: 222.8oC
• PSA: 32.34000
• Density: 1.33g/cm3
• LogP: 3.44260
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 324.08373
• Heavy Atom Count: 19
• Complexity: 301

Purity/Quality:

99%, ^*data from raw suppliers

U-47931E ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1CCCCC1NC(=O)C2=CC=C(C=C2)Br
• Isomeric SMILES: CN(C)[C@@H]1CCCC[C@H]1NC(=O)C2=CC=C(C=C2)Br
• Uses: Analgesic.