102432-91-7
BETA-8-(P-ETHYLBENZYL)TROPINIUM BROMIDE BENZOATE
NameBETA-8-(P-ETHYLBENZYL)TROPINIUM BROMIDE BENZOATE
1Identification
【Name】
BETA-8-(P-ETHYLBENZYL)TROPINIUM BROMIDE BENZOATE
【CAS】
【MDL】
MFCD01960894
【English Synonyms】
【Formula】
C24 H30 N O2 . Br
【MolWeight】
444.41
【Inchi】
InChI=1S/C24H30NO2.BrH/c1-3-18-9-11-19(12-10-18)17-25(2)21-13-14-22(25)16-23(15-21)27-24(26)20-7-5-4-6-8-20;/h4-12,21-23H,3,13-17H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=VTDVCJKOQCCORS-UHFFFAOYSA-M
【SMILES】
CCc1ccc(cc1)C[N+]2(C3CCC2CC(C3)OC(=O)c4ccccc4)C.[Br-]
【MOL File】
BETA-8-(P-ETHYLBENZY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BETA-8-(P-ETHYLBENZYL)TROPINIUM BROMIDE BENZOATE.cml