ChemSpider 2D Image | (1S)-2-(Methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate | C16H17NO4S

(1S)-2-(Methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate

  • Molecular FormulaC16H17NO4S
  • Average mass319.375 Da
  • Monoisotopic mass319.087830 Da
  • ChemSpider ID26519332

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-2-(Methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(1S)-2-(Methylamino)-2-oxo-1-phenylethyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de (1S)-2-(méthylamino)-2-oxo-1-phényléthyle [French] [ACD/IUPAC Name]
871224-68-9 [RN]
Benzeneacetamide, N-methyl-α-[[(4-methylphenyl)sulfonyl]oxy]-, (αS)- [ACD/Index Name]
(1S)-2-(Methylamino)-2-oxo-1-phenylethyl 4-methylbenzene-1-sulfonate
(2S)-N-METHYL-2-[(4-METHYLBENZENESULFONYL)OXY]-2-PHENYLACETAMIDE
(s)-2-(methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate
(S)-2-(Methylamino)-2-oxo-1-phenylethyl4-methylbenzenesulfonate
[871224-68-9] [RN]
More...

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

CCRIS 4693 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.7±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.78
ACD/KOC (pH 5.5): 423.12
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.78
ACD/KOC (pH 7.4): 423.12
Polar Surface Area: 81 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 254.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement