ChemSpider 2D Image | (14bR)-2-(~2~H_3_)Methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine | C17H16D3N3

(14bR)-2-(2H3)Methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine

  • Molecular FormulaC17H16D3N3
  • Average mass268.371 Da
  • Monoisotopic mass268.176727 Da
  • ChemSpider ID103835935

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(14bR)-2-(2H3)Methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepin [German] [ACD/IUPAC Name]
(14bR)-2-(2H3)Methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine [ACD/IUPAC Name]
(14bR)-2-(2H3)Méthyl-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, 1,2,3,4,10,14b-hexahydro-2-(methyl-d3)-, (14bR)- [ACD/Index Name]
(7R)-5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
(R)-Mirtazapine D3
T12631

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.3±28.7 °C
Index of Refraction: 1.668
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 28.14
ACD/KOC (pH 7.4): 255.26
Polar Surface Area: 19 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 216.6±5.0 cm3

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