| CAS Number | 56405-41-5 |
| Catalog Number | AG01FS6T(AGN-PC-0SLM1B) |
| Chemical Name | Ethanesulfonic acid, 2-[(4-formylphenyl)methylamino]-, sodium salt |
| IUPAC Name | sodium;2-(4-formyl-N-methylanilino)ethanesulfonate |
| InChI | InChI=1S/C10H13NO4S.Na/c1-11(6-7-16(13,14)15)10-4-2-9(8-12)3-5-10;/h2-5,8H,6-7H2,1H3,(H,13,14,15);/q;+1/p-1 |
| InChI Key | CDZKGUNWVIAGNM-UHFFFAOYSA-M |
| MDL Number | MFCD30729995 |
| Molecular Formula | C10H12NNaO4S |
| Molecular Weight | 265.2614 |
| SMILES | C(=O)C1=CC=C(C=C1)N(CCS(=O)(=O)[O-])C.[Na+] |
| Synonyms | 56405-41-5,
Sodium 2-((4-formylphenyl)(methyl)amino)ethanesulfonate,
Ethanesulfonic acid, 2-[(4-formylphenyl)methylamino]-, sodium salt,
Ethanesulfonic acid, 2-((4-formylphenyl)methylamino)-, sodium salt,
Ethanesulfonic acid, 2-((4-formylphenyl)methylamino)-, sodium salt (1:1),
Ethanesulfonic acid, 2-[(4-formylphenyl)methylamino]-, sodium salt (1:1),
SCHEMBL9836658,
DTXSID7069106,
KS-00000U9E,
AK684118,
C10H13NO4S.Na,
C10-H13-N-O4-S.Na,
CID6453337,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.038473g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.26g/mol |
| Monoisotopic Mass | 265.038473g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 85.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number