structural formula

business number	016k
molecular formula	c12h19in2
molecular weight	318.20
label	1-methyl-4-phenylpiperazinium 1-methiodide

• 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:54-77-3

mdl number:mfcd00011976

einecs number:200-213-0

rtecs number:tm3385000

brn number:3746109

pubchem number:24277832

physical property data

1. character:crystal.

2. density (g/ml,25/4℃): undetermined

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

4. melting point (ºc): 234~238

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

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (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/log value of partition coefficient (water): undetermined

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

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

19. solubility: undetermined.

toxicological data

1, acute toxicity: mouse abdominal cavity ld50: 18500ug/kg; mouse subcutaneous ld50: 1030 mg/kg; mouse intravenously ld50: 1600ug/kg; mouse intramuscular ld50: 28mg/kg;
rabbit vein: 1 mg/kg

ecological data

none

molecular structure data

none

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 3.2

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 173

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none

storage method

this product should be kept sealed in a cool place.

synthesis method

none

purpose

for biochemical research. ganglionic stimulants.

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