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Search term: 24750776 (Found by CSID)
ChemSpider 2D Image | caulophine | C19H21NO5

caulophine

  • Molecular FormulaC19H21NO5
  • Average mass343.374 Da
  • Monoisotopic mass343.141968 Da
  • ChemSpider ID24750776

More details:

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

3-[2-(Dimethylamino)ethyl]-4,5-dihydroxy-1,6-dimethoxy-9H-fluoren-9-on [German] [ACD/IUPAC Name]
3-[2-(Dimethylamino)ethyl]-4,5-dihydroxy-1,6-dimethoxy-9H-fluoren-9-one [ACD/IUPAC Name]
3-[2-(Diméthylamino)éthyl]-4,5-dihydroxy-1,6-diméthoxy-9H-fluorén-9-one [French] [ACD/IUPAC Name]
9H-Fluoren-9-one, 3-[2-(dimethylamino)ethyl]-4,5-dihydroxy-1,6-dimethoxy- [ACD/Index Name]
caulophine
1159989-19-1 [RN]
3-(2-(dimethylamino)ethyl)-4,5-dihydroxy-1,6-dimethoxy-9h-fluoren-9-one
3-[2-(dimethylamino)ethyl]-4,5-dihydroxy-1,6-dimethoxyfluoren-9-one
  • Miscellaneous

    • Chemical Class:

      A member of the class of fluoren-9-ones that is 9<element>H</element>-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy group s at positions 1 and 6 respectively. It is isolated from the radix of <ital>Caulophyllum robustum</ital> and exhibits anti-myocardial ischemia activity. ChEBI CHEBI:65604
      A member of the class of fluoren-9-ones that is 9H-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy group; s at positions 1 and 6 respectively. It is isolated from the radix of Caulophyllum robustum and exhibits anti-myocardial ischemia activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65604
      A member of the class of fluoren-9-ones that is 9H-fluoren-9-one substituted by 2-(dimethylamino)ethyl group at position 3, hydroxy groups at positions 4 and 5 and two methoxy groups at positions 1 an d 6 respectively. It is isolated from the radix of Caulophyllum robustum and exhibits anti-myocardial ischemia activity. ChEBI CHEBI:65604

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.69
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 10.36
ACD/KOC (pH 7.4): 130.43
Polar Surface Area: 79 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 262.8±3.0 cm3

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