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
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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