N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine
CAS Registry Number®
5446-58-2
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CAS Name
N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanineMolecular Formula
C13H17NO6SMolecular Mass
315.34Cite this Page
N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5446-58-2 (retrieved ) (CAS RN: 5446-58-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
168-170 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKey
InChIKey=LBANXBGLPMAEBA-UHFFFAOYSA-N
SMILES
N(S(=O)(=O)C1=CC=C(C)C=C1)(CCC(O)=O)CCC(O)=O
Canonical SMILES
O=C(O)CCN(CCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C
Other Names for this Substance
- β-Alanine, N-(2-carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-
- Propionic acid, 3,3′-[(p-tolylsulfonyl)imino]di-
- N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine
- NSC 17334
