ChemSpider 2D Image | purpuramine H | C21H24Br3N3O4

purpuramine H

  • Molecular FormulaC21H24Br3N3O4
  • Average mass622.145 Da
  • Monoisotopic mass618.931641 Da
  • ChemSpider ID8591875

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-{2-[4-(3-Aminopropoxy)-3,5-dibromophenyl]ethyl}-3-(3-bromo-4-methoxyphenyl)-2-(hydroxyimino)propanamide [ACD/IUPAC Name]
(2E)-N-{2-[4-(3-Aminopropoxy)-3,5-dibromophényl]éthyl}-3-(3-bromo-4-méthoxyphényl)-2-(hydroxyimino)propanamide [French] [ACD/IUPAC Name]
(2E)-N-{2-[4-(3-Aminopropoxy)-3,5-dibromphenyl]ethyl}-3-(3-brom-4-methoxyphenyl)-2-(hydroxyimino)propanamid [German] [ACD/IUPAC Name]
Benzenepropanamide, N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-3-bromo-α-(hydroxyimino)-4-methoxy-, (αE)- [ACD/Index Name]
purpuramine H
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462954/

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.35
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 10.58
ACD/KOC (pH 7.4): 52.78
Polar Surface Area: 106 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 363.9±7.0 cm3

Click to predict properties on the Chemicalize site


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