Product Name

  • Name

    2-hydroxy-3,5-bis(morpholin-4-ylmethyl)-7-(propan-2-yl)cyclohepta-2,4,6-trien-1-one

  • EINECS
  • CAS No. 36170-25-9
  • Density 1.184g/cm3
  • Solubility
  • Melting Point
  • Formula C20H30N2O4•2ClH
  • Boiling Point 517.9°C at 760 mmHg
  • Molecular Weight 435.44
  • Flash Point 267°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 36170-25-9 (2-hydroxy-3,5-bis(morpholin-4-ylmethyl)-7-(propan-2-yl)cyclohepta-2,4,6-trien-1-one)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride Chemical Properties

Empirical Formula of 3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride (CAS NO.36170-25-9): C20H32Cl2N2O4
Molecular Weight: 435.3851 
Flash Point: 267 °C
Enthalpy of Vaporization: 90.96 kJ/mol
Boiling Point: 517.9 °C at 760 mmHg
Vapour Pressure: 6.82E-13 mmHg at 25 °C
Structure of 3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride (CAS NO.36170-25-9):
                            
IUPAC Name: 2-Hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dichloride
Canonical SMILES: CC(C)C1=CC(=CC(=C(C1=O)O)C[NH+]2CCOCC2)C[NH+]3CCOCC3.[Cl-].[Cl-]
InChI: InChI=1S/C20H30N2O4.2ClH/c1-15(2)18-12-16(13-21-3-7-25-8-4-21)11-17(19(23)20(18)24)14-22-5-9-26-10-6-22;;/h11-12,15H,3-10,13-14H2,1-2H3,(H,23,24);2*1H
InChIKey: IPNDWAYKBVVIBI-UHFFFAOYSA-N

3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride Toxicity Data With Reference

1.    

ipr-mus LD50:75 mg/kg

     YKKZAJ    Yakugaku Zasshi. Journal of Pharmacy. 92 (1972),570.
2.    

scu-mus LD50:120 mg/kg

     YKKZAJ    Yakugaku Zasshi. Journal of Pharmacy. 92 (1972),570.
3.    

ivn-mus LD50:48 mg/kg

     YKKZAJ    Yakugaku Zasshi. Journal of Pharmacy. 92 (1972),570.

3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition 3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride (CAS NO.36170-25-9) emits toxic fumes of NOx and HCl.

3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride Specification

 3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride , its cas register number is 36170-25-9. It also can be called 2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride ; IDMT ; and 5,7-Bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one dihydrochloride .

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