ChemSpider 2D Image | 4-{1-Hydroxy-2-[(~13~C,~2~H_3_)methylamino]ethyl}-1,2-benzenediol | C813CH10D3NO3


  • Molecular FormulaC813CH10D3NO3
  • Average mass187.216 Da
  • Monoisotopic mass187.111725 Da
  • ChemSpider ID58785198
  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzenediol, 4-[1-hydroxy-2-(methyl-13C-d3-amino)ethyl]- [ACD/Index Name]
4-{1-Hydroxy-2-[(13C,2H3)methylamino]ethyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{1-Hydroxy-2-[(13C,2H3)méthylamino]éthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{1-Hydroxy-2-[(13C,2H3)methylamino]ethyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 49.3±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 142.7±3.0 cm3

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