ChemSpider 2D Image | 8-Chloro-11-[(2,2,3,3,5,5,6,6-~2~H_8_)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepine | C17H9D8ClN4

8-Chloro-11-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepine

  • Molecular FormulaC17H9D8ClN4
  • Average mass320.846 Da
  • Monoisotopic mass320.164398 Da
  • ChemSpider ID23935847
  • Non-standard isotope - Non-standard isotope


More details:






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

5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(1-piperazinyl-2,2,3,3,5,5,6,6-d8)- [ACD/Index Name]
8-Chlor-11-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepin [German] [ACD/IUPAC Name]
8-Chloro-11-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepine [ACD/IUPAC Name]
8-Chloro-11-[(2,2,3,3,5,5,6,6-2H8)-1-pipérazinyl]-5H-dibenzo[b,e][1,4]diazépine [French] [ACD/IUPAC Name]
1189888-77-4 [RN]
6104-71-8 [RN]
labeled d8 desmethyl clozapine hydrochloride
MFCD09840368
N-DESMETHYL CLOZAPINE-D8
N-Desmethylclozapine-d8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 502.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.7±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 88.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 5.29
ACD/KOC (pH 7.4): 53.09
Polar Surface Area: 40 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 226.4±7.0 cm3

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