ChemSpider 2D Image | N-Acetyl-1-methyl-L-histidine | C9H13N3O3

N-Acetyl-1-methyl-L-histidine

  • Molecular FormulaC9H13N3O3
  • Average mass211.218 Da
  • Monoisotopic mass211.095688 Da
  • ChemSpider ID57560763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Histidine, N-acetyl-1-methyl- [ACD/Index Name]
N-Acetyl-1-methyl-L-histidin [German] [ACD/IUPAC Name]
N-Acetyl-1-methyl-L-histidine [ACD/IUPAC Name]
N-Acétyl-1-méthyl-L-histidine [French] [ACD/IUPAC Name]
84285-33-6 [RN]
N-Acetyl-1-methylhistidine [ACD/IUPAC Name]
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-acetyl-<stereo>L</stereo>-amino acid that is <element>N</element>-acetyl-<stereo>L</stereo>-histidine in which the hydrogen attached to position 1 on the imidazole ring has bee n replaced by a methyl group. ChEBI CHEBI:133181
      An N-acetyl-L-amino acid that is N-acetyl-L-histidine in which the hydrogen attached to position 1 on the imidazole ring has been replaced by a methyl group. ChEBI CHEBI:133181

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.1±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 53.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 159.3±7.0 cm3

Click to predict properties on the Chemicalize site


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