ChemSpider 2D Image | Ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate | C14H16N2O2

Ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate

  • Molecular FormulaC14H16N2O2
  • Average mass244.289 Da
  • Monoisotopic mass244.121185 Da
  • ChemSpider ID21194516

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1,2,3,9-Tétrahydropyrrolo[2,1-b]quinazoline-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylate [ACD/IUPAC Name]
Ethyl-(1S)-1,2,3,9-tetrahydropyrrolo[2,1-b]chinazolin-1-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[2,1-b]quinazoline-1-carboxylic acid, 1,2,3,9-tetrahydro-, ethyl ester, (1S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 381.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.3±30.7 °C
Index of Refraction: 1.637
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.34
Polar Surface Area: 42 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 190.9±7.0 cm3

Click to predict properties on the Chemicalize site


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