23111-79-7
PIPERAZINIUM, 1-CYCLOHEXYL-1,4-DIMETHYL-4-(ALPHA-METHYLPHENETHYL)-, DI BROMIDE
NamePIPERAZINIUM, 1-CYCLOHEXYL-1,4-DIMETHYL-4-(ALPHA-METHYLPHENETHYL)-, DI BROMIDE
1Identification
【Name】
PIPERAZINIUM, 1-CYCLOHEXYL-1,4-DIMETHYL-4-(ALPHA-METHYLPHENETHYL)-, DI BROMIDE
【CAS】
【MDL】
MFCD01701885
【English Synonyms】
【Formula】
C21 H36 N2 . 2 Br
【MolWeight】
476.337
【Inchi】
InChI=1S/C21H36N2.2BrH/c1-19(18-20-10-6-4-7-11-20)22(2)14-16-23(3,17-15-22)21-12-8-5-9-13-21;;/h4,6-7,10-11,19,21H,5,8-9,12-18H2,1-3H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=VYSCPWKAIHUUOX-UHFFFAOYSA-L
【SMILES】
CC(Cc1ccccc1)[N+]2(CC[N+](CC2)(C)C3CCCCC3)C.[Br-].[Br-]
【MOL File】
PIPERAZINIUM, 1-CYCL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIPERAZINIUM, 1-CYCLOHEXYL-1,4-DIMETHYL-4-(ALPHA-METHYLPHENETHYL)-, DI BROMIDE.cml