Structural formula
Business number | 01Z9 |
---|---|
Molecular formula | C8H11NO3S |
Molecular weight | 201.25 |
label |
2,4-Dimethylaniline-6-sulfonic acid, 2-Amino-3,5-dimethylbenzenesulfonic acid, 2,4-Dimethylaniline-6-sulfonic Acid, 2-Amino-3,5-dimethylbenzenesulfonic acid |
Numbering system
CAS number:88-22-2
MDL number:None
EINECS number:201-811-4
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 49.96
2. Molar volume (cm3/mol): 147.0
3. Isotonic specific volume (90.2K ): 404.7
4. Surface tension (dyne/cm): 57.4
5. Polarizability (10-24cm3): 19.80
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.3
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: 13
8. Surface charge: 0
9. Complexity: 270
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet