ChemSpider 2D Image | (R)-aptazapine | C16H19N3

(R)-aptazapine

  • Molecular FormulaC16H19N3
  • Average mass253.342 Da
  • Monoisotopic mass253.157898 Da
  • ChemSpider ID34995578

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(14bR)-2-Methyl-1,3,4,14b-tetrahydro-2H,10H-pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepin [German] [ACD/IUPAC Name]
(14bR)-2-Methyl-1,3,4,14b-tetrahydro-2H,10H-pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine [ACD/IUPAC Name]
(14bR)-2-Méthyl-1,3,4,14b-tétrahydro-2H,10H-pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazépine [French] [ACD/IUPAC Name]
(R)-aptazapine
2H,10H-Pyrazino[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine, 1,3,4,14b-tetrahydro-2-methyl-, (14bR)- [ACD/Index Name]
81729-71-7 [RN]
71576-40-4 [RN]
Aptazapine [INN] [Wiki]
APTAZAPINE, (R)-
UNII-240J927J1R

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

9M1Z814TUV [DBID]
UNII:9M1Z814TUV [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.6±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: 215.4±28.7 °C
Index of Refraction: 1.672
Molar Refractivity: 77.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.20
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 24.87
ACD/KOC (pH 7.4): 244.90
Polar Surface Area: 11 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 207.6±7.0 cm3

Click to predict properties on the Chemicalize site


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