ChemSpider 2D Image | K-7174 | C33H48N2O6

K-7174

  • Molecular FormulaC33H48N2O6
  • Average mass568.744 Da
  • Monoisotopic mass568.351257 Da
  • ChemSpider ID8049880
  • Double-bond stereo - Double-bond stereo


More details:






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

1,4-Bis[(4E)-5-(3,4,5-trimethoxyphenyl)-4-penten-1-yl]-1,4-diazepan [German] [ACD/IUPAC Name]
1,4-Bis[(4E)-5-(3,4,5-trimethoxyphenyl)-4-penten-1-yl]-1,4-diazepane [ACD/IUPAC Name]
1,4-Bis[(4E)-5-(3,4,5-triméthoxyphényl)-4-pentén-1-yl]-1,4-diazépane [French] [ACD/IUPAC Name]
191089-59-5 [RN]
1H-1,4-Diazepine, hexahydro-1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)-4-penten-1-yl]- [ACD/Index Name]
K-7174
1,4-bis((E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl)-1,4-diazepane
1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane
1,4-BIS[5-(3,4,5-TRIMETHOXYPHENYL)-4(E)-PENTENYL]HEXAHYDRO-1H-1,4-DIAZEPINE
191089-60-8 [RN]
More...

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

36376CA57N [DBID]
UNII:36376CA57N [DBID]
UNII-36376CA57N [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 689.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 171.2±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 169.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.92
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 13.81
ACD/KOC (pH 7.4): 55.56
Polar Surface Area: 62 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 529.2±3.0 cm3

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