ChemSpider 2D Image | 5-({6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl}acetyl)-1,3-benzodioxole-4-carboxylic acid | C21H21NO7

5-({6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl}acetyl)-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC21H21NO7
  • Average mass399.394 Da
  • Monoisotopic mass399.131805 Da
  • ChemSpider ID30777492

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]- [ACD/Index Name]
5-({6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl}acetyl)-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-({6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl}acetyl)-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
5-[2-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid
51059-65-5 [RN]
Acide 5-(2-{6-[2-(diméthylamino)éthyl]-1,3-benzodioxol-5-yl}acétyl)-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
5-(2-{6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)-2H-1,3-benzodioxole-4-carboxylic acid
5-[[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid, 9CI
Adlumidiceine

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.6±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 95 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

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