21602-52-8
1-(4-TERT-BUTYL-1-PHENYLCYCLOHEXYL)-1-METHYLPIPERIDINIUM IODIDE
Name1-(4-TERT-BUTYL-1-PHENYLCYCLOHEXYL)-1-METHYLPIPERIDINIUM IODIDE
1Identification
【Name】
1-(4-TERT-BUTYL-1-PHENYLCYCLOHEXYL)-1-METHYLPIPERIDINIUM IODIDE
【CAS】
【MDL】
MFCD01700011
【English Synonyms】
【Formula】
C22 H36 N . I
【MolWeight】
441.433
【Inchi】
InChI=1S/C22H36N.HI/c1-21(2,3)19-13-15-22(16-14-19,20-11-7-5-8-12-20)23(4)17-9-6-10-18-23;/h5,7-8,11-12,19H,6,9-10,13-18H2,1-4H3;1H/q+1;/p-1
【InChIKey】
InChIKey=CPLYRJICFDWTNZ-UHFFFAOYSA-M
【SMILES】
CC(C)(C)C1CCC(CC1)(c2ccccc2)[N+]3(CCCCC3)C.[I-]
【MOL File】
1-(4-TERT-BUTYL-1-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-TERT-BUTYL-1-PHENYLCYCLOHEXYL)-1-METHYLPIPERIDINIUM IODIDE.cml