ChemSpider 2D Image | 3-[5-(Ammoniomethyl)-2-bromo-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate | C10H12BrN2O4

3-[5-(Ammoniomethyl)-2-bromo-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate

  • Molecular FormulaC10H12BrN2O4
  • Average mass304.118 Da
  • Monoisotopic mass302.998596 Da
  • ChemSpider ID128920383

  • Charge - Charge

More details:

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

1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-2-bromo-4-(carboxymethyl)-, inner salt, ion(1-) [ACD/Index Name]
3-[5-(Ammoniomethyl)-2-brom-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoat [German] [ACD/IUPAC Name]
3-[5-(Ammoniomethyl)-2-bromo-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate [ACD/IUPAC Name]
3-[5-(Ammoniométhyl)-2-bromo-4-(carboxylatométhyl)-1H-pyrrol-3-yl]propanoate [French] [ACD/IUPAC Name]
2-Bromoporphobilinogen

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

Density:
Boiling Point: 535.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.6±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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