ChemSpider 2D Image | aplysamine 6 | C21H23Br3N2O3

aplysamine 6

  • Molecular FormulaC21H23Br3N2O3
  • Average mass591.131 Da
  • Monoisotopic mass587.925842 Da
  • ChemSpider ID24701247

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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)acrylamide [ACD/IUPAC Name]
(2E)-N-{2-[4-(3-Aminopropoxy)-3,5-dibromophényl]éthyl}-3-(3-bromo-4-méthoxyphényl)acrylamide [French] [ACD/IUPAC Name]
(2E)-N-{2-[4-(3-Aminopropoxy)-3,5-dibromphenyl]ethyl}-3-(3-brom-4-methoxyphenyl)acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, N-[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]-3-(3-bromo-4-methoxyphenyl)-, (2E)- [ACD/Index Name]
aplysamine 6
1023754-96-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482878/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.63
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 12.07
ACD/KOC (pH 7.4): 58.68
Polar Surface Area: 74 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 363.3±3.0 cm3

Click to predict properties on the Chemicalize site


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