ChemSpider 2D Image | 3-[2,6-Dibromo-4-(2-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-(hydroxyimino)propanoyl]amino}ethyl)phenoxy]-N,N-dimethyl-1-propanaminium | C23H29Br3N3O4

3-[2,6-Dibromo-4-(2-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-(hydroxyimino)propanoyl]amino}ethyl)phenoxy]-N,N-dimethyl-1-propanaminium

  • Molecular FormulaC23H29Br3N3O4
  • Average mass651.206 Da
  • Monoisotopic mass647.970276 Da
  • ChemSpider ID10471723

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1-Propanaminium, 3-[2,6-dibromo-4-[2-[[(2E)-3-(3-bromo-4-methoxyphenyl)-2-(hydroxyimino)-1-oxopropyl]amino]ethyl]phenoxy]-N,N-dimethyl- [ACD/Index Name]
3-[2,6-Dibrom-4-(2-{[(2E)-3-(3-brom-4-methoxyphenyl)-2-(hydroxyimino)propanoyl]amino}ethyl)phenoxy]-N,N-dimethyl-1-propanaminium [German] [ACD/IUPAC Name]
3-[2,6-Dibromo-4-(2-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-(hydroxyimino)propanoyl]amino}ethyl)phenoxy]-N,N-dimethyl-1-propanaminium [ACD/IUPAC Name]
3-[2,6-Dibromo-4-(2-{[(2E)-3-(3-bromo-4-méthoxyphényl)-2-(hydroxyimino)propanoyl]amino}éthyl)phénoxy]-N,N-diméthyl-1-propanaminium [French] [ACD/IUPAC Name]
aplysamine-2 [Wiki]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 10.34
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 41.44
ACD/KOC (pH 7.4): 148.81
Polar Surface Area: 85 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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