21176-59-0
Benzenepentanoic acid, alpha-amino-3-(trifluoromethyl)-, hydrochloride (1:1)
NameBenzenepentanoic acid, alpha-amino-3-(trifluoromethyl)-, hydrochloride (1:1)
1Identification
【Name】
Benzenepentanoic acid, alpha-amino-3-(trifluoromethyl)-, hydrochloride (1:1)
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H15ClF3NO2
【MolWeight】
297.701
【Inchi】
InChI=1S/C12H14F3NO2.ClH/c13-12(14,15)9-5-1-3-8(7-9)4-2-6-10(16)11(17)18;/h1,3,5,7,10H,2,4,6,16H2,(H,17,18);1H
【InChIKey】
InChIKey=WBWLLKHFVSHKKT-UHFFFAOYSA-N
【SMILES】
Cl.NC(C(=O)O)CCCC1=CC(=CC=C1)C(F)(F)F
【MOL File】
Benzenepentanoic 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
Benzenepentanoic acid, alpha-amino-3-(trifluoromethyl)-, hydrochloride (1:1).cml