ChemSpider 2D Image | 2-[Hydroxy(~2~H_2_)methyl]-4-[1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}(1-~13~C,1-~2~H)ethyl]phenol | C2413CH34D3NO4

2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}(1-13C,1-2H)ethyl]phenol

  • Molecular FormulaC2413CH34D3NO4
  • Average mass419.577 Da
  • Monoisotopic mass419.294434 Da
  • ChemSpider ID8963537
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Benzenedimethan133-d3-ol-α1-13C, 4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- [ACD/Index Name]
2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}(1-13C,1-2H)ethyl]phenol [ACD/IUPAC Name]
2-[Hydroxy(2H2)methyl]-4-[1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}(1-13C,1-2H)ethyl]phenol [German] [ACD/IUPAC Name]
2-[Hydroxy(2H2)méthyl]-4-[1-hydroxy-2-{[6-(4-phénylbutoxy)hexyl]amino}(1-13C,1-2H)éthyl]phénol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
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: 48.3±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 373.7±3.0 cm3

Click to predict properties on the Chemicalize site






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