ChemSpider 2D Image | (R)-carisoprodol | C12H24N2O4

(R)-carisoprodol

  • Molecular FormulaC12H24N2O4
  • Average mass260.330 Da
  • Monoisotopic mass260.173615 Da
  • ChemSpider ID26331574

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate [ACD/IUPAC Name]
(2R)-2-[(Carbamoyloxy)methyl]-2-methylpentyl-isopropylcarbamat [German] [ACD/IUPAC Name]
(R)-carisoprodol
Carbamic acid, N-(1-methylethyl)-, (2R)-2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester [ACD/Index Name]
carisoprodolum [Latin] [INN]
Isopropylcarbamate de (2R)-2-[(carbamoyloxy)méthyl]-2-méthylpentyle [French] [ACD/IUPAC Name]
(2R)-2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamate
(R)-2-methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate
[(2S)-2-(aminocarbonyloxymethyl)-2-methyl-pentyl] N-propan-2-ylcarbamate
[(2S)-2-(carbamoyloxymethyl)-2-methyl-pentyl] N-isopropylcarbamate
More...

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

CS72YR891K [DBID]
Lopac-C-8759 [DBID]
NCGC00015278-01 [DBID]
NCGC00016321-01 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.9±24.0 °C
Index of Refraction: 1.466
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.37
ACD/KOC (pH 5.5): 268.57
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.37
ACD/KOC (pH 7.4): 268.57
Polar Surface Area: 91 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 246.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement