ChemSpider 2D Image | 4-[(2-Aminoethyl)amino]-1,2,5-oxadiazole-3-carboxylic acid | C5H8N4O3

4-[(2-Aminoethyl)amino]-1,2,5-oxadiazole-3-carboxylic acid

  • Molecular FormulaC5H8N4O3
  • Average mass172.142 Da
  • Monoisotopic mass172.059647 Da
  • ChemSpider ID24180671

More details:






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

1,2,5-Oxadiazole-3-carboxylic acid, 4-[(2-aminoethyl)amino]- [ACD/Index Name]
4-[(2-Aminoethyl)amino]-1,2,5-oxadiazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-[(2-Aminoethyl)amino]-1,2,5-oxadiazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(2-aminoéthyl)amino]-1,2,5-oxadiazole-3-carboxylique [French] [ACD/IUPAC Name]
1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID 4-[(2-AMINOETHYL)AMINO]-
1,2,5-Oxadiazole-3-carboxylic acid, 4-[(2-aminoethyl)amino]- (9CI)
1,2,5-Oxadiazole-3-carboxylicacid,4-[(2-aminoethyl)amino]-(9CI)
153596-02-2 [RN]
4-((2-aminoethyl)amino)-1,2,5-oxadiazole-3-carboxylic acid
MFCD18804648

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

Density: 1.6±0.1 g/cm3
Boiling Point: 427.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.1±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 87.9±3.0 dyne/cm
Molar Volume: 110.8±3.0 cm3

Click to predict properties on the Chemicalize site






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