structural formula
| business number | 03wn |
|---|---|
| molecular formula | c11h11n3o2s |
| molecular weight | 249.29 |
| label |
2-sulfapyridine, 4-amino-n-(2-pyridyl)benzenesulfonamide, p-amine-n-2-pyridine benzenesulfonamide, 4-amino-n-(2-pyridinyl)benzene sulfonamide, 4-(2-pyridinylsulfonyl)aniline |
numbering system
cas number:144-83-2
mdl number:mfcd00038036
einecs number:205-642-7
rtecs number:da9625000
brn number:none
pubchem number:24899692
physical property data
1. physical property data:
1. characteristics: yellow-brown to white powder
2. melting point (ºc): 191-193ºc
3. solubility:slightly soluble in water.
toxicological data
2. toxicological data:
1, acute toxicity: rat oral ld50: 15800 mg/kg;
rat intravenous ld50: 800 mg/kg;
mouse oral ld50: 16600 mg/kg;
mouse abdominal cavity ld50: 1150 mg/kg;
rabbit oral ld50: 20 mg/kg.
2. chronic toxicity/carcinogenicity: rat subcutaneous tdlo: 135 mg/kg/9w-i
ecological data
3. ecological data:
usually for water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
molecular structure data
5. molecular property data:
1. molar refractive index:65.34
2. molar volume (m3/mol):174.0
3. isotonic specific volume (90.2k):508.6
4. surface tension (dyne/cm):73.0
5. polarizability(10-24cm3）：5. molecular property data:
1. molar refractive index:65.34
2. molar volume (m3/mol):174.0
3. isotonic specific volume (90.2k):508.6
4. surface tension (dyne/cm):73.0
5. polarizability(10-24cm3）：25.90
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 93.5
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 331
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
stable under normal temperature and pressure.
storage method
save at 2-8ºc.
synthesis method
2-aminopyridine is obtained by condensation and hydrolysis.
purpose
pharmaceutical intermediates.
-size: 9pt; font-family: ‘arial’,’sans-serif'”>25.90
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 93.5
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 331
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
stable under normal temperature and pressure.
storage method
save at 2-8ºc.
synthesis method
2-aminopyridine is obtained by condensation and hydrolysis.
purpose
pharmaceutical intermediates.
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