ChemSpider 2D Image | tert-Butyl 3-(((2-hydroxyethyl)thio)methyl)pyrrolidine-1-carboxylate | C12H23NO3S

tert-Butyl 3-(((2-hydroxyethyl)thio)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC12H23NO3S
  • Average mass261.381 Da
  • Monoisotopic mass261.139862 Da
  • ChemSpider ID28297597

More details:

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

1353983-27-3 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[(2-hydroxyethyl)thio]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(2-hydroxyethyl)sulfanyl]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(2-hydroxyethyl)sulfanyl]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-{[(2-Hydroxyéthyl)sulfanyl]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(((2-hydroxyethyl)thio)methyl)pyrrolidine-1-carboxylate
3-(2-Hydroxyethylsulfanylmethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
3-(2-Hydroxy-ethylsulfanylmethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
3-(2-Hydroxy-ethylsulfanylmethyl)-pyrrolidine-1-carboxylicacidtert-butylester
MFCD21092902 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 384.7±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 186.4±19.6 °C
Index of Refraction: 1.517
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.76
ACD/KOC (pH 5.5): 250.54
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.76
ACD/KOC (pH 7.4): 250.54
Polar Surface Area: 75 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 232.5±3.0 cm3

Click to predict properties on the Chemicalize site


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