59177-67-2
2-BROMO-1-(4-METHYL-1-PIPERAZINYL)METHYLADAMANTANE DIHYDROBROMIDE
Name2-BROMO-1-(4-METHYL-1-PIPERAZINYL)METHYLADAMANTANE DIHYDROBROMIDE
FormulaC16 H27 Br N2 . 2 Br H
1Identification
【Name】
2-BROMO-1-(4-METHYL-1-PIPERAZINYL)METHYLADAMANTANE DIHYDROBROMIDE
【CAS】
【MDL】
MFCD01673961
【English Synonyms】
【Formula】
C16 H27 Br N2 . 2 Br H
【MolWeight】
489.131
【Inchi】
InChI=1S/C16H27BrN2.2BrH/c1-18-2-4-19(5-3-18)11-16-9-12-6-13(10-16)8-14(7-12)15(16)17;;/h12-15H,2-11H2,1H3;2*1H/t12-,13+,14-,15?,16+;;
【InChIKey】
InChIKey=KETPWUGIGJJRHJ-YRWJDVMTSA-N
【SMILES】
CN1CCN(CC1)C[C@]23C[C@@H]4C[C@H](C2)C[C@@H](C4)C3Br.Br.Br
【MOL File】
2-BROMO-1-(4-METHYL-….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
2-BROMO-1-(4-METHYL-1-PIPERAZINYL)METHYLADAMANTANE DIHYDROBROMIDE.cml