DEMECARIUM BROMIDE (CAS: 56-94-0) - Chemical Structure and Molecular Formula
DEMECARIUM BROMIDE (CAS: 56-94-0) - Chemical Structure Thumbnail

DEMECARIUM BROMIDE

Catalog No:   FT-0698614

CAS No:   56-94-0

  • Chemical Name:  DEMECARIUM BROMIDE
  • Molecular Formula:  C32H52Br2N4O4
  • Molecular Weight:  716.6
  • InChI Key:  YHKBUDZECQDYBR-UHFFFAOYSA-L
  • InChI:  InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: Demecarium bromide
Flash_Point: N/A
Melting_Point: 164 - 170ºC
FW: 716.588
Density: N/A
CAS: 56-94-0
Bolling_Point: N/A
MF: C32H52Br2N4O4
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :17 ', '5. Isotope Atom Count :N/A ', '6. TPSA 591 ', '7. Heavy Atom Count :42 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :686 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :3']
LogP: 0.77020
Melting_Point: 164 - 170ºC
FW: 716.588
PSA: 59.08000
MF: C32H52Br2N4O4
Exact_Mass: 714.235535
Hazard_Class: 9
RIDADR: 3077
Packing_Group: III
WGK_Germany: 3
Safety_Statements: S22-S26-S36/37-S36/37/39

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