ChemSpider 2D Image | N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitroacetamide | C12H19N3O4S

N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitroacetamide

  • Molecular FormulaC12H19N3O4S
  • Average mass301.362 Da
  • Monoisotopic mass301.109619 Da
  • ChemSpider ID32701336

More details:

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

117846-02-3 [RN]
Acetamide, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro- [ACD/Index Name]
N-(2-(((5-((DIMETHYLAMINO)METHYL)FURAN-2-YL)METHYL)SULFANYL)ETHYL)-2-NITROACETAMIDE
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitroacetamid [German] [ACD/IUPAC Name]
N-{2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitroacetamide [ACD/IUPAC Name]
N-{2-[({5-[(Diméthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}-2-nitroacétamide [French] [ACD/IUPAC Name]
N-{2-[({5-[(DIMETHYLAMINO)METHYL]FURAN-2-YL}METHYL)SULFANYL]ETHYL}-2-NITROACETAMIDE

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

VUN945A63D [DBID]
UNII:VUN945A63D [DBID]
UNII-VUN945A63D [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.2±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

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