structural formula

business number	018x
molecular formula	c7h10n4o2s
molecular weight	214.24
label	para-aminobenzenesulfonylguanidine, 4-amino-n-(aminoiminomethyl)benzenesulfonamide, 4-amino-n-guanylbenzenesulfonamide

• 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:57-67-0

mdl number:mfcd00038136

einecs number:200-345-9

rtecs number:wo8575000

brn number:2695326

pubchem id:none

physical property data

1. characteristics: white needle-like crystals sex powder.

2. density ( g/ml,25/4℃) : undetermined

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

4. melting point ( oc): 190~193

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): not ok

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

12. saturation 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) partition coefficient pair value: undetermined

17. explosion limit (%,v/v): not ok

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

19. solubility: odorless or virtually odorless. tasteless. gradient color when exposed to light. easily soluble in dilute mineral acid, slightly soluble in ethanol and acetone,25 ℃,1gproduct dissolves in approx.1000mlcold water,10mlboiling water. insoluble in sodium hydroxide solution at room temperature.

toxicological data

1, acute toxicity: mice oral ld: >20mg/kg; mouse intravenous ldlo: 500mg/kg
2, reproductive toxicity: female rats oral tdlo: 22500ug/kg, 1-15 days after conception; male rat oral tdlo: 5880mg/kg, 6 weeks before mating

ecological data

none

molecular structure data

5. molecular property data:

1. ?? er refractive index: 50.80

2. molar volume (m³/mol）：132.1

3. isotonic specific volume (90.2k):392.1

4. surface tension (dyne/cm):77.6

5. polarizability(10^-24cm³):20.14

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.7

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecule polar surface area 133

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 307

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: 1

properties and stability

none

storage method

this product should be sealed and stored in a cool, dry place away from light.

synthesis method

sulfonamide and guanidine nitrate are condensed.

purpose

biochemical research. medicine (antibacterials).

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