n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine
2-[benzenesulfonyl(2-carboxyethyl)amino]propanoic acid
Also Known As: n-(2-carboxyethyl)-n-(phenylsulfonyl)alanine|N-(Benzenesulfonyl)-N-(2-carboxyethyl)alanine|2-[phenylsulfonyl(2-carboxyethyl)amino]propanoic acid|2-[benzenesulfonyl(2-carboxyethyl)amino]propanoic acid
CAS: 6322-34-5
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.062 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.062 |
| Monoisotopic Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 6322-34-5 |
|---|---|
| SMILES | CC(C(=O)O)N(CCC(=O)O)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | JTNDCFYLUMGNQP-UHFFFAOYSA-N |
Product Overview
n-(2-Carboxyethyl)-n-(phenylsulfonyl)alanine (CAS 6322-34-5), with molecular formula C12H15NO6S and molecular weight 301.062 g/mol. IUPAC: 2-[benzenesulfonyl(2-carboxyethyl)amino]propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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