ChemSpider 2D Image | N-[3-Amino-1-hydroxy(3-~3~H_1_)propylidene]-L-histidine | C9H13TN4O3

N-[3-Amino-1-hydroxy(3-3H1)propylidene]-L-histidine

  • Molecular FormulaC9H13TN4O3
  • Average mass228.241 Da
  • Monoisotopic mass228.114822 Da
  • ChemSpider ID57267095

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Histidine, N-(3-amino-1-hydroxypropylidene-3-t)- [ACD/Index Name]
N-[3-Amino-1-hydroxy(3-3H1)propyliden]-L-histidin [German] [ACD/IUPAC Name]
N-[3-Amino-1-hydroxy(3-3H1)propylidene]-L-histidine [ACD/IUPAC Name]
N-[3-Amino-1-hydroxy(3-3H1)propylidène]-L-histidine [French] [ACD/IUPAC Name]
β-ALANYL-L-HISTIDINE, [β-ALANINE 3-3H]

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

Density:
Boiling Point: 557.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 291.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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