21100-34-5
1-(3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)-1-METHYLPIPERIDINIUM BROMIDE
Name1-(3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)-1-METHYLPIPERIDINIUM BROMIDE
1Identification
【Name】
1-(3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)-1-METHYLPIPERIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01699947
【English Synonyms】
【Formula】
C21 H34 N O . Br
【MolWeight】
396.41
【Inchi】
InChI=1S/C21H34NO.BrH/c1-22(16-9-4-10-17-22)18-15-21(23,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2,5-6,11-12,20,23H,3-4,7-10,13-18H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=HBVVNVMAXNAIMK-UHFFFAOYSA-M
【SMILES】
C[N+]1(CCCCC1)CCC(c2ccccc2)(C3CCCCC3)O.[Br-]
【MOL File】
1-(3-CYCLOHEXYL-3-HY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)-1-METHYLPIPERIDINIUM BROMIDE.cml