ChemSpider 2D Image | (1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl)methyl methanesulfonate | C12H21N3O4S

(1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl)methyl methanesulfonate

  • Molecular FormulaC12H21N3O4S
  • Average mass303.378 Da
  • Monoisotopic mass303.125275 Da
  • ChemSpider ID28537388

More details:

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

(1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl)methyl methanesulfonate
[1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-4-piperidinyl]methyl methanesulfonate [ACD/IUPAC Name]
[1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-4-piperidinyl]methyl-methansulfonat [German] [ACD/IUPAC Name]
1032825-19-6 [RN]
4-Piperidinemethanol, 1-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-, methanesulfonate (ester) [ACD/Index Name]
Méthanesulfonate de [1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-4-pipéridinyl]méthyle [French] [ACD/IUPAC Name]
[1032825-19-6] [RN]
{1-[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl}methyl methanesulfonate
MFCD22376587 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.9±26.5 °C
Index of Refraction: 1.509
Molar Refractivity: 73.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.02
ACD/KOC (pH 5.5): 89.63
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.79
ACD/KOC (pH 7.4): 106.79
Polar Surface Area: 94 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 246.0±3.0 cm3

Click to predict properties on the Chemicalize site


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