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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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