ChemSpider 2D Image | N-ETHYLNORLYSERGIC ACID N,N-DIETHYLAMIDE | C21H27N3O

N-ETHYLNORLYSERGIC ACID N,N-DIETHYLAMIDE

  • Molecular FormulaC21H27N3O
  • Average mass337.459 Da
  • Monoisotopic mass337.215424 Da
  • ChemSpider ID21106300
  • 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-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N,N,6-Triethyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N,N,6-Triéthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
65527-62-0 [RN]
Ergoline-8-carboxamide, 9,10-didehydro-N,N,6-triethyl-, (8β)- [ACD/Index Name]
N-ETHYLNORLYSERGIC ACID N,N-DIETHYLAMIDE
6-ethyl-9,10-didehydro-ergoline-8-carboxylic acid diethylamide
7-Ethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide
Ergoline-8-carboxamide, 9,10-didehydro-N,N,6-triethyl-, (8b)-
ETH-LAD
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

21Z2736X9Q [DBID]
UNII:21Z2736X9Q [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 17.65
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 92.55
ACD/KOC (pH 7.4): 713.34
Polar Surface Area: 39 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 282.2±5.0 cm3

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