70156-41-1
β-Alanine, N-(2-carboxyethyl)-N-(4-hydroxyphenyl)-
Nameβ-Alanine, N-(2-carboxyethyl)-N-(4-hydroxyphenyl)-
1Identification
【Name】
β-Alanine, N-(2-carboxyethyl)-N-(4-hydroxyphenyl)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H15NO5
【MolWeight】
253.2512
【Inchi】
InChI=1S/C12H15NO5/c14-10-3-1-9(2-4-10)13(7-5-11(15)16)8-6-12(17)18/h1-4,14H,5-8H2,(H,15,16)(H,17,18)
【InChIKey】
InChIKey=VIGBRPAXNUQBQX-UHFFFAOYSA-N
【SMILES】
C(=O)(O)CCN(CCC(=O)O)C1=CC=C(C=C1)O
【MOL File】
β-Alanine, N-(2-carb….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
β-Alanine, N-(2-carboxyethyl)-N-(4-hydroxyphenyl)-.cml