Found 1 result

Search term: CCNc1cc2oc3c\c(=[NH+]\CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (3Z)-9-[2-(Ethoxycarbonyl)phenyl]-N-ethyl-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-iminium | C28H31N2O3

(3Z)-9-[2-(Ethoxycarbonyl)phenyl]-N-ethyl-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-iminium

  • Molecular FormulaC28H31N2O3
  • Average mass443.557 Da
  • Monoisotopic mass443.232910 Da
  • ChemSpider ID26328791

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-9-[2-(Ethoxycarbonyl)phenyl]-N-ethyl-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-iminium [German] [ACD/IUPAC Name]
(3Z)-9-[2-(Ethoxycarbonyl)phenyl]-N-ethyl-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-iminium [ACD/IUPAC Name]
(3Z)-9-[2-(Éthoxycarbonyl)phényl]-N-éthyl-6-(éthylamino)-2,7-diméthyl-3H-xanthén-3-iminium [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(3Z)-6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, conjugate monoacid [ACD/Index Name]
rhodamine 6G cation

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

Density:
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 830.70
ACD/KOC (pH 5.5): 1148.83
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 4068.51
ACD/KOC (pH 7.4): 5626.57
Polar Surface Area: 62 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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