ChemSpider 2D Image | Varenicline-d4 | C13H9D4N3

Varenicline-d4

  • Molecular FormulaC13H9D4N3
  • Average mass215.287 Da
  • Monoisotopic mass215.136047 Da
  • ChemSpider ID71117111

  • Non-standard isotope - Non-standard isotope

More details:

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

(13,13,15,15-2H4)-5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaen [German] [ACD/IUPAC Name]
(13,13,15,15-2H4)-5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene [ACD/IUPAC Name]
(13,13,15,15-2H4)-5,8,14-Triazatétracyclo[10.3.1.02,11.04,9]hexadéca-2,4(9),5,7,10-pentaène [French] [ACD/IUPAC Name]
2183239-01-0 [RN]
6,10-Methano-6H-azepino[4,5-g]quinoxaline-7,9-d2, 7,8,9,10-tetrahydro-7,9-d2- [ACD/Index Name]
Varenicline-d4
7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-7,7,9,9-d4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.1±27.3 °C
Index of Refraction: 1.667
Molar Refractivity: 63.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 38 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 169.4±3.0 cm3

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