ChemSpider 2D Image | (9aS)-2-[2-(4-Phenyl-1-piperazinyl)ethyl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepine | C20H32N4

(9aS)-2-[2-(4-Phenyl-1-piperazinyl)ethyl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepine

  • Molecular FormulaC20H32N4
  • Average mass328.495 Da
  • Monoisotopic mass328.262695 Da
  • ChemSpider ID35051144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9aS)-2-[2-(4-Phenyl-1-piperazinyl)ethyl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepin [German] [ACD/IUPAC Name]
(9aS)-2-[2-(4-Phenyl-1-piperazinyl)ethyl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepine [ACD/IUPAC Name]
(9aS)-2-[2-(4-Phényl-1-pipérazinyl)éthyl]octahydro-1H-pyrrolo[1,2-a][1,4]diazépine [French] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a][1,4]diazepine, octahydro-2-[2-(4-phenyl-1-piperazinyl)ethyl]-, (9aS)- [ACD/Index Name]
2-[2-(4-phenylpiperazin-1-yl)ethyl]octahydro-1H-pyrrolo[1,2-a][1,4]diazepine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 194.2±23.0 °C
Index of Refraction: 1.615
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.08
Polar Surface Area: 13 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 289.2±5.0 cm3

Click to predict properties on the Chemicalize site


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