Found 2941 results

Search term: MF = 'C_{12}H_{17}BrN_{2}O_{2}S'
ChemSpider 2D Image | 1-(4-bromobenzenesulfonyl)-4-methyl-1,4-diazepane | C12H17BrN2O2S

1-(4-bromobenzenesulfonyl)-4-methyl-1,4-diazepane

  • Molecular FormulaC12H17BrN2O2S
  • Average mass333.245 Da
  • Monoisotopic mass332.019409 Da
  • ChemSpider ID26327822

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-bromobenzenesulfonyl)-4-methyl-1,4-diazepane
1-[(4-Bromophenyl)sulfonyl]-4-methyl-1,4-diazepane [ACD/IUPAC Name]
1-[(4-Bromophényl)sulfonyl]-4-méthyl-1,4-diazépane [French] [ACD/IUPAC Name]
1-[(4-Bromphenyl)sulfonyl]-4-methyl-1,4-diazepan [German] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(4-bromophenyl)sulfonyl]hexahydro-4-methyl- [ACD/Index Name]
486422-31-5 [RN]
1-((4-Bromophenyl)sulfonyl)-4-methyl-1,4-diazepane
1-(4-Bromobenzene-1-sulfonyl)-4-methyl-1,4-diazepane
1-(4-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
1-[(4-Bromobenzene)sulfonyl]-4-methylhomopiperazine
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 417.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.1±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 76.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.91
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 22.60
ACD/KOC (pH 7.4): 253.34
Polar Surface Area: 49 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 229.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement