ChemSpider 2D Image | (3aS,6aS)-N-(2,3-Dichlorophenyl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide | C14H17Cl2N3O

(3aS,6aS)-N-(2,3-Dichlorophenyl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide

  • Molecular FormulaC14H17Cl2N3O
  • Average mass314.210 Da
  • Monoisotopic mass313.074860 Da
  • ChemSpider ID29723365

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aS)-N-(2,3-Dichlorophenyl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide [ACD/IUPAC Name]
(3aS,6aS)-N-(2,3-Dichlorophényl)-1-méthylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide [French] [ACD/IUPAC Name]
(3aS,6aS)-N-(2,3-Dichlorphenyl)-1-methylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-carboxamid [German] [ACD/IUPAC Name]
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxamide, N-(2,3-dichlorophenyl)hexahydro-1-methyl-, (3aS,6aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.2±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 19.62
Polar Surface Area: 36 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 227.6±3.0 cm3

Click to predict properties on the Chemicalize site


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