ChemSpider 2D Image | BD1031 | C15H20Cl2N2

BD1031

  • Molecular FormulaC15H20Cl2N2
  • Average mass299.239 Da
  • Monoisotopic mass298.100342 Da
  • ChemSpider ID23166168
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(8aR)-2-[2-(3,4-Dichlorophenyl)ethyl]octahydropyrrolo[1,2-a]pyrazine [ACD/IUPAC Name]
(8aR)-2-[2-(3,4-Dichlorophényl)éthyl]octahydropyrrolo[1,2-a]pyrazine [French] [ACD/IUPAC Name]
(8aR)-2-[2-(3,4-Dichlorphenyl)ethyl]octahydropyrrolo[1,2-a]pyrazin [German] [ACD/IUPAC Name]
(R)-2-[2-(3,4-dichlorophenyl)ethyl]octahydropyrrolo[1,2-a]pyrazine
BD1031 [Wiki]
Pyrrolo[1,2-a]pyrazine, 2-[2-(3,4-dichlorophenyl)ethyl]octahydro-, (8aR)- [ACD/Index Name]
(8aR)-2-[2-(3,4-dichlorophenyl)ethyl]-octahydropyrrolo[1,2-a]piperazine
2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrrolo[1,2-a]pyrazine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 395.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.0±26.5 °C
Index of Refraction: 1.610
Molar Refractivity: 81.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 35.59
ACD/KOC (pH 7.4): 242.58
Polar Surface Area: 6 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 235.9±5.0 cm3

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