100659-29-8
ALPHA-8-(P-METHYLBENZYL)TROPINIUM BROMIDE BENZOATE
NameALPHA-8-(P-METHYLBENZYL)TROPINIUM BROMIDE BENZOATE
1Identification
【Name】
ALPHA-8-(P-METHYLBENZYL)TROPINIUM BROMIDE BENZOATE
【CAS】
【MDL】
MFCD03265597
【English Synonyms】
【Formula】
C23 H28 N O2 . Br
【MolWeight】
430.383
【Inchi】
InChI=1S/C23H28NO2.BrH/c1-17-8-10-18(11-9-17)16-24(2)20-12-13-21(24)15-22(14-20)26-23(25)19-6-4-3-5-7-19;/h3-11,20-22H,12-16H2,1-2H3;1H/q+1;/p-1/t20-,21+,22+,24?;
【InChIKey】
InChIKey=PYWOSTLJEWWZDK-JAQQHUFYSA-M
【SMILES】
Cc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)c4ccccc4)C.[Br-]
【MOL File】
ALPHA-8-(P-METHYLBEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-8-(P-METHYLBENZYL)TROPINIUM BROMIDE BENZOATE.cml