19617-41-5
BENZYLTRIETHYLAMMONIUM OXALATE
NameBENZYLTRIETHYLAMMONIUM OXALATE
Formula2 C13 H22 N . C2 O4
1Identification
【Name】
BENZYLTRIETHYLAMMONIUM OXALATE
【CAS】
【MDL】
MFCD01674679
【English Synonyms】
【Formula】
2 C13 H22 N . C2 O4
【MolWeight】
472.666
【Inchi】
InChI=1S/2C13H22N.C2H2O4/c2*1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;3-1(4)2(5)6/h2*7-11H,4-6,12H2,1-3H3;(H,3,4)(H,5,6)/q2*+1;/p-2
【InChIKey】
InChIKey=HBWPEOVGYOGFGX-UHFFFAOYSA-L
【SMILES】
CC[N+](CC)(CC)Cc1ccccc1.CC[N+](CC)(CC)Cc1ccccc1.C(=O)(C(=O)[O-])[O-]
【MOL File】
BENZYLTRIETHYLAMMONI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYLTRIETHYLAMMONIUM OXALATE.cml