ChemSpider 2D Image | Ethyl (1R,3S)-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate | C21H22N2O3

Ethyl (1R,3S)-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylate

  • Molecular FormulaC21H22N2O3
  • Average mass350.411 Da
  • Monoisotopic mass350.163055 Da
  • ChemSpider ID30658926

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-1-(4-Méthoxyphényl)-2,3,4,9-tétrahydro-1H-β-carboline-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(4-methoxyphenyl)-, ethyl ester, (1R,3S)- [ACD/Index Name]
Ethyl (1R,3S)-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylate [ACD/IUPAC Name]
Ethyl-(1R,3S)-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carbolin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 529.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.9±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 32.82
ACD/KOC (pH 7.4): 232.77
Polar Surface Area: 63 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 287.0±3.0 cm3

Click to predict properties on the Chemicalize site


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