structural formula
| business number | 03p8 |
|---|---|
| molecular formula | c7h9no3s |
| molecular weight | 187.22 |
| label |
5-aminotoluene-2-sulfonic acid, m-toluidine to sulfonic acid, m-toluidine-4-sulfonic acid, m-toluidine-4-sulfonic acid, 3-methylaniline-4-sulphonic acid, aromatic compounds |
numbering system
cas number:133-78-8
mdl number:mfcd00035774
einecs number:205-120-9
rtecs number:xt6325000
brn number:none
pubchem id:none
physical property data
none
toxicological data
skin/eye irritation data
rabbit eye contact ：500mg/24h
ecological data
none
molecular structure data
5. molecular property data:
1、 molar refractive index：45.54
2, molar volume（m3/mol):126.4
3, isotonic specific volume（90.2k）：365.3
4, surface tension（3.0 dyne/cm span>): 69.7
5, polarizability（ 0.5 10-24cm3): 18.05
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.4
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 88.8
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 244
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
none
synthesis method
none
purpose
none
bsp; polarizability（0.5 10-24cm 3):18.05
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.4
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 88.8
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 244
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
none
synthesis method
none
purpose
none
