Product Name

  • Name

    Perakine

  • EINECS
  • CAS No. 4382-56-3
  • Article Data2
  • CAS DataBase
  • Density 1.59 g/cm3
  • Solubility
  • Melting Point 186 °C
  • Formula C21H22N2O3
  • Boiling Point 492.8 °C at 760 mmHg
  • Molecular Weight 350.411
  • Flash Point 251.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4382-56-3 (Perakine)
  • Hazard Symbols
  • Synonyms 18-Norajmalan-19-al, 17-(acetyloxy)-1,2-didehydro-1-demethyl-21-methyl-, (17R,20alpha,21beta)-;Raucaffrine;18-Norajmalan-19-al,17-(acetyloxy)-1,2- didehydro-1-demethyl-21-methyl-,(17R,20R,- 21a)-;18-Norajmalan-19-al, 17-(acetyloxy)-1,2-didehydro-1-demethyl-21-methyl-, (17R,20a,21b)-;Indole alkaloid;
  • PSA 58.97000
  • LogP 1.62550

Perakine Specification

The Perakine is an organic compound with the formula C21H22N2O3. The systematic name of this chemical is (6S,8S,9R,11aS,12aR,13R)-9-Formyl-8-methyl-8,9,10,11,11a,12-hexahydro-6H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-13-yl acetate. With the CAS registry number 4382-56-3, it is also named as Indole alkaloid. Besides, its molecular weight is 350.411.

Physical properties about Perakine are: (1)ACD/LogP: 1.17; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 58.97 Å2; (5)Index of Refraction: 1.804; (6)Molar Refractivity: 94.29 cm3; (7)Molar Volume: 219.6 cm3; (8)Polarizability: 37.38×10-24 cm3; (9)Surface Tension: 63.7 dyne/cm; (10)Density: 1.59 g/cm3; (11)Flash Point: 251.9 °C; (12)Enthalpy of Vaporization: 75.99 kJ/mol; (13)Boiling Point: 492.8 °C at 760 mmHg; (14)Vapour Pressure: 7.42E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12?,13-,16-,17-,18?,20+,21+/m0/s1
(2)InChIKey: GDXJMOGWONJRHL-HWUILILVBM
(3)Std. InChI: InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12?,13-,16-,17-,18?,20+,21+/m0/s1
(4)Std. InChIKey: GDXJMOGWONJRHL-HWUILILVSA-N

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