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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