100733-36-6
8-METHYL-3-(ALPHA-(O-TOLYL)BENZYLOXY)TROPANIUM IODIDE
Name8-METHYL-3-(ALPHA-(O-TOLYL)BENZYLOXY)TROPANIUM IODIDE
1Identification
【Name】
8-METHYL-3-(ALPHA-(O-TOLYL)BENZYLOXY)TROPANIUM IODIDE
【CAS】
【MDL】
MFCD01677463
【English Synonyms】
【Formula】
C23 H30 N O . I
【MolWeight】
463.396
【Inchi】
InChI=1S/C23H30NO.HI/c1-17-9-7-8-12-22(17)23(18-10-5-4-6-11-18)25-21-15-19-13-14-20(16-21)24(19,2)3;/h4-12,19-21,23H,13-16H2,1-3H3;1H/q+1;/p-1/t19-,20+,21?,23?;
【InChIKey】
InChIKey=KFNGISKIVVMCAM-BXDODROXSA-M
【SMILES】
Cc1ccccc1C(c2ccccc2)OC3C[C@H]4CC[C@@H](C3)[N+]4(C)C.[I-]
【MOL File】
8-METHYL-3-(ALPHA-(O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-METHYL-3-(ALPHA-(O-TOLYL)BENZYLOXY)TROPANIUM IODIDE.cml