ChemSpider 2D Image | Amino({4-[(4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenoxy)carbonyl]phenyl}amino)methaniminium | C20H23N4O5

Amino({4-[(4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenoxy)carbonyl]phenyl}amino)methaniminium

  • Molecular FormulaC20H23N4O5
  • Average mass399.420 Da
  • Monoisotopic mass399.166290 Da
  • ChemSpider ID21217969

  • Charge - Charge

More details:

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

Amino({4-[(4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenoxy)carbonyl]phenyl}amino)methaniminium [ACD/IUPAC Name]
Amino({4-[(4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenoxy)carbonyl]phenyl}amino)methaniminium [German] [ACD/IUPAC Name]
Amino({4-[(4-{2-[2-(diméthylamino)-2-oxoéthoxy]-2-oxoéthyl}phénoxy)carbonyl]phényl}amino)méthaniminium [French] [ACD/IUPAC Name]
Methaniminium, 1-amino-1-[[4-[[4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenoxy]carbonyl]phenyl]amino]- [ACD/Index Name]
amino{4-[(4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenoxy)carbonyl]anilino}methaniminium
camostat cation
camostat(1+)
  • Miscellaneous

    • Chemical Class:

      A guanidinium ion resulting from the protonation of the guanidyl group of camostat. Major microspecies at pH 7.3. ChEBI CHEBI:169939

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

Density:
Boiling Point: 590.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

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