ChemSpider 2D Image | 3-[(Z)-(2,4-Dihydroxy-3,3-dimethyl-1-oxidanidylbutylidene)amino]propanoate | C9H15NO5

3-[(Z)-(2,4-Dihydroxy-3,3-dimethyl-1-oxidanidylbutylidene)amino]propanoate

  • Molecular FormulaC9H15NO5
  • Average mass217.220 Da
  • Monoisotopic mass217.096115 Da
  • ChemSpider ID95545483

  • Charge - Charge

More details:

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

3-[(Z)-(2,4-Dihydroxy-3,3-dimethyl-1-oxidanidylbutylidene)amino]propanoate [ACD/IUPAC Name]
3-[(Z)-(2,4-Dihydroxy-3,3-diméthyl-1-oxydanidylbutylidène)amino]propanoate [French] [ACD/IUPAC Name]
β-Alanine, N-(1,2,4-trihydroxy-3,3-dimethylbutylidene)-, ion(2-), (Z)- [ACD/Index Name]

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

Density:
Boiling Point: 490.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 250.3±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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