Product Name

  • Name

    Egenine

  • EINECS
  • CAS No. 6883-44-9
  • Article Data3
  • CAS DataBase
  • Density 1.478 g/cm3
  • Solubility
  • Melting Point
  • Formula C20H19NO6
  • Boiling Point 511.3 °C at 760 mmHg
  • Molecular Weight 369.374
  • Flash Point 263 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6883-44-9 (Egenine)
  • Hazard Symbols
  • Synonyms Furo[3,4-e]-1,3-benzodioxol-8-ol,6,8-dihydro-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,[6R-[6a(S*),8a]]-;1,3-Dioxolo[4,5-g]isoquinoline,furo[3,4-e]-1,3-benzodioxol-8-ol deriv.;(+)-Decumbensine;(+)-Egenine;Decumbensine;Egenine;
  • PSA 69.62000
  • LogP 2.37330

Egenine Specification

The Egenine, with the CAS registry number 6883-44-9, has the systematic name of 6-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-8-ol. It belongs to the product category of Miscellaneous Natural Products. And the molecular formula of the chemical is C20H19NO6.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 65.04; (7)ACD/KOC (pH 5.5): 23.31; (8)ACD/KOC (pH 7.4): 615.57; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.62 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 94.07 cm3; (15)Molar Volume: 249.8 cm3; (16)Polarizability: 37.29×10-24cm3; (17)Surface Tension: 64.5 dyne/cm; (18)Density: 1.478 g/cm3; (19)Flash Point: 263 °C; (20)Enthalpy of Vaporization: 82.36 kJ/mol; (21)Boiling Point: 511.3 °C at 760 mmHg; (22)Vapour Pressure: 2.81E-11 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1c2ccc3c(c2OC1)C(O)OC3C5c4cc6OCOc6cc4CCN5C
(2)InChI: InChI=1/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3
(3)InChIKey: YMHFBUOKLSWOQF-UHFFFAOYAS 

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