ChemSpider 2D Image | YIC-C8-434 | C31H44N2O4

YIC-C8-434

  • Molecular FormulaC31H44N2O4
  • Average mass508.692 Da
  • Monoisotopic mass508.330109 Da
  • ChemSpider ID8656795

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3,5-Dimethoxy-4-(octyloxy)phenyl]-1-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3,5-Dimethoxy-4-(octyloxy)phenyl]-1-[4-(3,4-dimethylphenyl)-1-piperazinyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3,5-Diméthoxy-4-(octyloxy)phényl]-1-[4-(3,4-diméthylphényl)-1-pipérazinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
214265-97-1 [RN]
2-Propen-1-one, 3-[3,5-dimethoxy-4-(octyloxy)phenyl]-1-[4-(3,4-dimethylphenyl)-1-piperazinyl]-, (2E)- [ACD/Index Name]
MFCD00954689
N-(3,5-Dimethoxy-4-n-octyloxycinnamoyl)-N'-(3,4-dimethylphenyl)piperazine
YIC-C8-434
(E)-3-(3,5-Dimethoxy-4-octoxyphenyl)-1-[4-(3,4-dimethylphenyl)piperazin-1-yl]prop-2-en-1-one
3-[3,5-DIMETHOXY-4-(OCTYLOXY)PHENYL]-1-[4-(3,4-DIMETHYLPHENYL)PIPERAZIN-1-YL]PROP-2-EN-1-ONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Y0628_SIGMA [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 693.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 152.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 130548.90
ACD/KOC (pH 5.5): 159083.92
ACD/LogD (pH 7.4): 7.04
ACD/BCF (pH 7.4): 132465.34
ACD/KOC (pH 7.4): 161419.27
Polar Surface Area: 51 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 473.0±3.0 cm3

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