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Search term: KTDGOUSDBBFBRO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | tert-Butyl (3S)-3-ethynylpyrrolidine-1-carboxylate | C11H17NO2

tert-Butyl (3S)-3-ethynylpyrrolidine-1-carboxylate

  • Molecular FormulaC11H17NO2
  • Average mass195.258 Da
  • Monoisotopic mass195.125931 Da
  • ChemSpider ID24598974
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Éthynyl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-ethynyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-ethinyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl (3S)-3-ethynylpyrrolidine-1-carboxylate
(3R)-1-N-Boc-3-ethynylpyrrolidine
(3S)-1-N-Boc-3-ethynylpyrrolidine
(S)-1-Boc-3-ethynylpyrrolidine
(S)-tert-Butyl 3-ethynylpyrrolidine-1-carboxylate
[785051-40-3]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 249.2±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 104.5±24.3 °C
Index of Refraction: 1.492
Molar Refractivity: 54.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.57
ACD/KOC (pH 5.5): 248.36
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.57
ACD/KOC (pH 7.4): 248.36
Polar Surface Area: 30 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 187.6±5.0 cm3

Click to predict properties on the Chemicalize site






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