| CAS Number | 53313-85-2 |
| Catalog Number | AG00D8FT(AGN-PC-0SEXRY) |
| Chemical Name | 2-(P-TOLUIDINO)NAPHTHALENE-6-SULFONIC ACID SODIUM SALT |
| IUPAC Name | sodium;6-(4-methylanilino)naphthalene-2-sulfonate |
| InChI | InChI=1S/C17H15NO3S.Na/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1 |
| InChI Key | QZZGQOXRGFDEJP-UHFFFAOYSA-M |
| MDL Number | MFCD00171528 |
| Molecular Formula | C17H14NNaO3S |
| Molecular Weight | 335.3527 |
| SMILES | O=S(C1=CC=C2C=C(NC3=CC=C(C)C=C3)C=CC2=C1)([O-])=O.[Na+] |
| Synonyms | 6-(p-Toluidino)-2-naphthalenesulfonic acid sodium salt,
2,6-TNS,
53313-85-2,
6-(p-Toluidino)-2-naphthalenesulfonic acid,
TNS,
SCHEMBL591961,
AKOS024386411,
FT-0608919,
sodium 2-p-toluidinylnaphthalene-6-sulfonate,
ST51037683,
Sodium 6-(p-toluidino)-2-naphthalenesulfonate,
Sodium 6-(p-tolylamino)naphthalene-2-sulfonate,
2-(p-Toluidino)naphthalene-6-sulfonic acid sodium salt,
2-(P-TOLUIDINO)-NAPHTHALENE-6-SULFONIC ACID SODIUM SALT,
6-[(4-methylphenyl)amino]naphthalene-2-sulfonic acid, sodium salt,
7724-15-4,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.353g/mol |
| Monoisotopic Mass | 335.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number