1823677-50-4
Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(1-methylethyl)-
NameBenzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(1-methylethyl)-
1Identification
【Name】
Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(1-methylethyl)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C18H27NO4
【MolWeight】
321.4113
【Inchi】
InChI=1S/C18H27NO4/c1-12(2)14-8-6-13(7-9-14)10-15(16(20)21)11-19-17(22)23-18(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,19,22)(H,20,21)
【InChIKey】
InChIKey=NJTNBHQHHUMGGT-UHFFFAOYSA-N
【SMILES】
CC(C)(OC(=O)NCC(C(=O)O)CC1=CC=C(C=C1)C(C)C)C
【MOL File】
Benzenepropanoic aci….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
Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(1-methylethyl)-.cml