structural formula

business number	0172
molecular formula	c12h30br2n2
molecular weight	362.19
label	hexamethonium bromide, hexane-1,6-bis(trimethylammonium bromide), n,n,n,n′,n′,n′-hexamethylhexamethylenediammonium dibromide

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:55-97-0

mdl number:mfcd00011787

einecs number:200-249-7

rtecs number:bq8575000

brn number:3715749

pubchem number:24278459

physical property data

1. character:white crystalline powder. virtually odorless. unsavory.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 274～276 -font-kerning: 0pt”>

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc, 1.60kpa): undetermined.

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water ) logarithmic value of partition coefficient: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility:hygroscopic. soluble in water and ethanol, insoluble in acetone, chloroform and ether. 1%aqueous solutionphfor6.2～7.0.

toxicological data

1, acute toxicity: rat oral ld50: 2891mg/kg; rat subcutaneous ld50 : 200mg/kg; rat intravenous ld50: 64130ug/kg; mouse oral ld50: 838mg/kg;
mouse abdominal cavity ld50: 70 mg/kg; mouse subcutaneous ld50: 78mg/kg; mouse intravenous ld50: 22mg/kg ; rabbit vein ld50: 50300ug/kg
2, reproductive toxicity: subcutaneous in women tdlo: 46mg/kg, 31-34 days after conception

ecological data

none

molecular structure data

none

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp):

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 0

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 121

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. no determine the number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 3

properties and stability

none

storage method

this product should be sealed and stored dry.

synthesis method

made from adipic acid as raw material

purpose

for biochemical research. this product is a quaternary ammonium ganglion blocking drug. the blood pressure reducing effect is strong and fast. for severe hypertension. the preparation is an injection

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