ChemSpider 2D Image | (S)-(1-Acetylpyrrolidin-2-yl)methyl 4-methylbenzenesulfonate | C14H19NO4S

(S)-(1-Acetylpyrrolidin-2-yl)methyl 4-methylbenzenesulfonate

  • Molecular FormulaC14H19NO4S
  • Average mass297.370 Da
  • Monoisotopic mass297.103485 Da
  • ChemSpider ID28302791

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(1-Acetylpyrrolidin-2-yl)methyl 4-methylbenzenesulfonate
[(2S)-1-Acetyl-2-pyrrolidinyl]methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
[(2S)-1-Acetyl-2-pyrrolidinyl]methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
1353994-74-7 [RN]
4-Méthylbenzènesulfonate de [(2S)-1-acétyl-2-pyrrolidinyl]méthyle [French] [ACD/IUPAC Name]
Ethanone, 1-[(2S)-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-pyrrolidinyl]- [ACD/Index Name]
[(2S)-1-ACETYLPYRROLIDIN-2-YL]METHYL 4-METHYLBENZENE-1-SULFONATE
[(2S)-1-ACETYLPYRROLIDIN-2-YL]METHYL 4-METHYLBENZENESULFONATE
MFCD21097893 [MDL number]
Toluene-4-sulfonic acid (S)-1-acetylpyrrolidin-2-ylmethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 482.1±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.3±21.2 °C
Index of Refraction: 1.546
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.36
ACD/KOC (pH 5.5): 210.52
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.36
ACD/KOC (pH 7.4): 210.52
Polar Surface Area: 72 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 240.9±3.0 cm3

Click to predict properties on the Chemicalize site


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