ChemSpider 2D Image | 2-Imino-3-(1H-indol-3-yl)propanoate | C11H9N2O2

2-Imino-3-(1H-indol-3-yl)propanoate

  • Molecular FormulaC11H9N2O2
  • Average mass201.202 Da
  • Monoisotopic mass201.066956 Da
  • ChemSpider ID58164113

  • Charge - Charge

More details:

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

1H-Indole-3-propanoic acid, α-imino-, ion(1-) [ACD/Index Name]
2-Imino-3-(1H-indol-3-yl)propanoat [German] [ACD/IUPAC Name]
2-Imino-3-(1H-indol-3-yl)propanoate [ACD/IUPAC Name]
2-Imino-3-(1H-indol-3-yl)propanoate [French] [ACD/IUPAC Name]
2-imino-3-(indol-3-yl)propanoate
IPAimine
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of 2-imino-3-(indol-3-yl)propanoic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:90892

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

Density:
Boiling Point: 452.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.2±29.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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