ChemSpider 2D Image | Cymserine | C22H27N3O2

Cymserine

  • Molecular FormulaC22H27N3O2
  • Average mass365.469 Da
  • Monoisotopic mass365.210327 Da
  • ChemSpider ID26000641
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aS,8aR)-1,8-Dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl (4-isopropylphenyl)carbamate [ACD/IUPAC Name]
(3aS,8aR)-1,8-Dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl-(4-isopropylphenyl)carbamat [German] [ACD/IUPAC Name]
(4-Isopropylphényl)carbamate de (3aS,8aR)-1,8-diméthyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[4-(1-methylethyl)phenyl]-, (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,8-dimethylpyrrolo[2,3-b]indol-5-yl ester [ACD/Index Name]
Cymserine [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.8±28.7 °C
Index of Refraction: 1.612
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 15.27
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 145.76
ACD/KOC (pH 7.4): 779.60
Polar Surface Area: 45 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

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