ChemSpider 2D Image | BU-LAD | C23H31N3O

BU-LAD

  • Molecular FormulaC23H31N3O
  • Average mass365.512 Da
  • Monoisotopic mass365.246704 Da
  • ChemSpider ID21106266
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(8β)-6-Butyl-N,N-diethyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-6-Butyl-N,N-diethyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-6-Butyl-N,N-diéthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
BU-LAD
Ergoline-8-carboxamide, 6-butyl-9,10-didehydro-N,N-diethyl-, (8β)- [ACD/Index Name]
7-Butyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 8.23
ACD/KOC (pH 5.5): 44.09
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 332.95
ACD/KOC (pH 7.4): 1783.20
Polar Surface Area: 39 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

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