ChemSpider 2D Image | N-ALLYLNORLYSERGIC ACID N,N-DIETHYLAMIDE | C22H27N3O

N-ALLYLNORLYSERGIC ACID N,N-DIETHYLAMIDE

  • Molecular FormulaC22H27N3O
  • Average mass349.469 Da
  • Monoisotopic mass349.215424 Da
  • ChemSpider ID21106248

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-6-Allyl-N,N-diethyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-6-Allyl-N,N-diethyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-6-Allyl-N,N-diéthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
(8β)-N,N-diethyl-6-(prop-2-en-1-yl)-9,10-didehydroergoline-8-carboxamide
65527-61-9 [RN]
Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-6-(2-propen-1-yl)-, (8β)- [ACD/Index Name]
N-ALLYLNORLYSERGIC ACID N,N-DIETHYLAMIDE
(6aR,9R)-7-allyl-N,N-diethyl-6,6a,8,9-tetrahydro-4H-indol[4,3-fg]quinoline-9-carboxyamine [ACD/IUPAC Name]
(6aR,9R)-N,N-diethyl-7-prop-2-enyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
7-Allyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide
More...

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

020O2SR91L [DBID]
UNII:020O2SR91L [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 26.23
ACD/KOC (pH 5.5): 180.47
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 264.99
ACD/KOC (pH 7.4): 1823.04
Polar Surface Area: 39 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 293.7±5.0 cm3

Click to predict properties on the Chemicalize site


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