ChemSpider 2D Image | Hirsutine | C22H28N2O3

Hirsutine

  • Molecular FormulaC22H28N2O3
  • Average mass368.469 Da
  • Monoisotopic mass368.209991 Da
  • ChemSpider ID57578708

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3β)-17-Méthoxycoryn-16-én-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
7729-23-9 [RN]
Hirsutine [Wiki]
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, (2S,3R,12bR)- [ACD/Index Name]
Methyl (3β)-17-methoxycoryn-16-en-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β)-17-methoxycoryn-16-en-16-carboxylat [German] [ACD/IUPAC Name]
4684-43-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.4±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 57.29
ACD/KOC (pH 7.4): 301.37
Polar Surface Area: 55 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 304.8±5.0 cm3

Click to predict properties on the Chemicalize site


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