ChemSpider 2D Image | (3,3,4,4-~2~H_4_)-1,2,3,4,10,14b-Hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine | C16H13D4N3

(3,3,4,4-2H4)-1,2,3,4,10,14b-Hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine

  • Molecular FormulaC16H13D4N3
  • Average mass255.351 Da
  • Monoisotopic mass255.167358 Da
  • ChemSpider ID78333849

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3,4,4-2H4)-1,2,3,4,10,14b-Hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepin [German] [ACD/IUPAC Name]
(3,3,4,4-2H4)-1,2,3,4,10,14b-Hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine [ACD/IUPAC Name]
(3,3,4,4-2H4)-1,2,3,4,10,14b-Hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazépine [French] [ACD/IUPAC Name]
Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepine-3,4-d2, 1,2,3,4,10,14b-hexahydro-3,4-d2- [ACD/Index Name]
1188331-80-7 [RN]
N-Desmethylmirtazapine-D4missing

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.7±25.4 °C
Index of Refraction: 1.676
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 7.91
ACD/KOC (pH 7.4): 83.55
Polar Surface Area: 28 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 201.5±5.0 cm3

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