ChemSpider 2D Image | 4-Nitrobenzyl {(1E)-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethylidene}carbamate | C14H17N3O5

4-Nitrobenzyl {(1E)-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethylidene}carbamate

  • Molecular FormulaC14H17N3O5
  • Average mass307.302 Da
  • Monoisotopic mass307.116821 Da
  • ChemSpider ID21179573

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(1E)-1-[(3S)-3-Hydroxy-1-pyrrolidinyl]éthylidène}carbamate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
4-Nitrobenzyl {(1E)-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethylidene}carbamate [ACD/IUPAC Name]
4-Nitrobenzyl-{(1E)-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethyliden}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1E)-1-[(3S)-3-hydroxy-1-pyrrolidinyl]ethylidene]-, (4-nitrophenyl)methyl ester [ACD/Index Name]
(n(e))-(1-((3s)-3-hydroxy-1-pyrrolidinyl)ethylidene)carbamic acid (4-nitrophenyl)methyl ester
915098-97-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.4±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 30.85
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 51.59
Polar Surface Area: 108 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 222.0±7.0 cm3

Click to predict properties on the Chemicalize site


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