ChemSpider 2D Image | Molsidomine | C9H14N4O4

Molsidomine

  • Molecular FormulaC9H14N4O4
  • Average mass242.232 Da
  • Monoisotopic mass242.101501 Da
  • ChemSpider ID24608574

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-[(Ethoxycarbonyl)imino]-3-(4-morpholinyl)-5H-1,2,3-oxadiazol-3-ium-2-id [German] [ACD/IUPAC Name]
(5Z)-5-[(Ethoxycarbonyl)imino]-3-(4-morpholinyl)-5H-1,2,3-oxadiazol-3-ium-2-ide [ACD/IUPAC Name]
(5Z)-5-[(Éthoxycarbonyl)imino]-3-(4-morpholinyl)-5H-1,2,3-oxadiazol-3-ium-2-ide [French] [ACD/IUPAC Name]
1,2,3-Oxadiazolium, 5-[(ethoxycarbonyl)imino]-2,5-dihydro-3-(4-morpholinyl)-, inner salt, (5Z)- [ACD/Index Name]
Molsidomine
(1Z)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
[25717-80-0] [RN]
247-207-4 [EINECS]
ethyl (NZ)-N-(3-morpholin-4-yl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene)carbamate
ethyl (NZ)-N-(3-morpholino-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene)carbamate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SIN-10 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 354.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 168.4±30.7 °C
Index of Refraction: 1.606
Molar Refractivity: 57.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 84 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 167.4±7.0 cm3

Click to predict properties on the Chemicalize site


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