1971556-66-7
beta-Alanine, N-[4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
Namebeta-Alanine, N-[4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
1Identification
【Name】
beta-Alanine, N-[4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C14H18F3NO2
【MolWeight】
289.2934
【Inchi】
InChI=1S/C14H18F3NO2/c1-13(2,3)20-12(19)8-9-18-11-6-4-10(5-7-11)14(15,16)17/h4-7,18H,8-9H2,1-3H3
【InChIKey】
InChIKey=GMLCOLFCFVBSAV-UHFFFAOYSA-N
【SMILES】
FC(C1=CC=C(C=C1)NCCC(=O)OC(C)(C)C)(F)F
【MOL File】
beta-Alanine, N-[4-(….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
beta-Alanine, N-[4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester.cml