ChemSpider 2D Image | (R)-tert-Butyl 3-((3-nitropyridin-2-yl)thio)pyrrolidine-1-carboxylate | C14H19N3O4S

(R)-tert-Butyl 3-((3-nitropyridin-2-yl)thio)pyrrolidine-1-carboxylate

  • Molecular FormulaC14H19N3O4S
  • Average mass325.383 Da
  • Monoisotopic mass325.109619 Da
  • ChemSpider ID28538893

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-[(3-Nitro-2-pyridinyl)sulfanyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(R)-tert-Butyl 3-((3-nitropyridin-2-yl)thio)pyrrolidine-1-carboxylate
1354006-95-3 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(3-nitro-2-pyridinyl)thio]-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-3-[(3-nitro-2-pyridinyl)sulfanyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-3-[(3-nitro-2-pyridinyl)sulfanyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(R)-3-(3-Nitropyridin-2-ylsulfanyl)pyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-(3-Nitro-pyridin-2-ylsulfanyl)pyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-(3-Nitro-pyridin-2-ylsulfanyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
(r)-tert-butyl3-((3-nitropyridin-2-yl)thio)pyrrolidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 452.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.6±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.39
ACD/KOC (pH 5.5): 738.69
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.39
ACD/KOC (pH 7.4): 738.69
Polar Surface Area: 114 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 248.0±5.0 cm3

Click to predict properties on the Chemicalize site


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