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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