ChemSpider 2D Image | N-Ethyl-N-{1-[(4-nitro-1H-pyrazol-1-yl)methyl]-4-piperidinyl}methanesulfonamide | C12H21N5O4S

N-Ethyl-N-{1-[(4-nitro-1H-pyrazol-1-yl)methyl]-4-piperidinyl}methanesulfonamide

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID30485176

More details:

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

Methanesulfonamide, N-ethyl-N-[1-[(4-nitro-1H-pyrazol-1-yl)methyl]-4-piperidinyl]- [ACD/Index Name]
N-Ethyl-N-{1-[(4-nitro-1H-pyrazol-1-yl)methyl]-4-piperidinyl}methanesulfonamide [ACD/IUPAC Name]
N-Éthyl-N-{1-[(4-nitro-1H-pyrazol-1-yl)méthyl]-4-pipéridinyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-Ethyl-N-{1-[(4-nitro-1H-pyrazol-1-yl)methyl]-4-piperidinyl}methansulfonamid [German] [ACD/IUPAC Name]
N-ETHYL-N-{1-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PIPERIDIN-4-YL}METHANESULFONAMIDE
N-ETHYL-N-{1-[(4-NITROPYRAZOL-1-YL)METHYL]PIPERIDIN-4-YL}METHANESULFONAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 488.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.3±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 82.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.82
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 65.16
Polar Surface Area: 113 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 229.8±7.0 cm3

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