ChemSpider 2D Image | 1-PROPIONYL-ETH-LAD | C24H31N3O2

1-PROPIONYL-ETH-LAD

  • Molecular FormulaC24H31N3O2
  • Average mass393.522 Da
  • Monoisotopic mass393.241638 Da
  • ChemSpider ID52085137
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(8β)-N,N,6-Triethyl-1-propionyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N,N,6-Triethyl-1-propionyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N,N,6-Triéthyl-1-propionyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
1-PROPIONYL-ETH-LAD
Ergoline-8-carboxamide, 9,10-didehydro-N,N,6-triethyl-1-(1-oxopropyl)-, (8β)- [ACD/Index Name]

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

HA76076A0R [DBID]
UNII:HA76076A0R [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.6±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 21.42
ACD/KOC (pH 5.5): 133.45
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 342.99
ACD/KOC (pH 7.4): 2136.45
Polar Surface Area: 46 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 328.1±7.0 cm3

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