| CAS Number | 375387-13-6 |
| Catalog Number | AG00C9F8(AGN-PC-0WQUJ1) |
| Chemical Name | Bis[2-(amino-κN)-5-methylbenzenesulfonato-κO]nickel |
| IUPAC Name | 2-amino-5-methylbenzenesulfonate;nickel(2+) |
| InChI | InChI=1S/2C7H9NO3S.Ni/c2*1-5-2-3-6(8)7(4-5)12(9,10)11;/h2*2-4H,8H2,1H3,(H,9,10,11);/q;;+2/p-2 |
| InChI Key | JFVHHXOSEDMKHN-UHFFFAOYSA-L |
| MDL Number | MFCD00135316 |
| Molecular Formula | C14H16N2NiO6S2 |
| Molecular Weight | 431.1100 |
| SMILES | [Ni++].CC1=CC(=C(N)C=C1)S([O-])(=O)=O.CC1=CC(=C(N)C=C1)S([O-])(=O)=O |
| Synonyms | Nickel p-Toluidine-2-sulfonate,
375387-13-6,
4-Aminotoluene-3-sulfonic Acid Nickel Salt,
Nickel(II) 2-Amino-5-methylbenzenesulfonate,
ACMC-20aj7e,
CTK8C5311,
MFCD00135316,
Nickel(II) 4-Aminotoluene-3-sulfonate,
2-Amino-5-methylbenzenesulfonic Acid Ni,
Nickel(II) 4-Methylaniline-2-sulfonate,
p-Toluidine-2-sulfonic Acid Nickel Salt,
TC-164561,
A0430,
p-Toluidine-2-sulfonic Acid Nickel(II) Salt,
4-Aminotoluene-3-sulfonic Acid Nickel(II) Salt,
4-Methylaniline-2-sulfonic Acid Nickel(II) Salt,
Bis(4-aminotoluene-3-sulfonic acid)nickel(II) salt,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.103g/mol |
| Monoisotopic Mass | 429.98g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 183A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number