5770-70-7
1,4-DIBROMO-1,4-DIAZABICYCLO[2.2.2]OCTANE-1,4-DIIUM DIBROMIDE
Name1,4-DIBROMO-1,4-DIAZABICYCLO[2.2.2]OCTANE-1,4-DIIUM DIBROMIDE
FormulaC6 H12 Br2 N2 . 2 Br
1Identification
【Name】
1,4-DIBROMO-1,4-DIAZABICYCLO[2.2.2]OCTANE-1,4-DIIUM DIBROMIDE
【CAS】
【MDL】
MFCD16876648
【English Synonyms】
【Formula】
C6 H12 Br2 N2 . 2 Br
【MolWeight】
431.791
【Inchi】
InChI=1S/C6H12Br2N2.2BrH/c7-9-1-2-10(8,5-3-9)6-4-9;;/h1-6H2;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=IXGVKOFDKDAVJW-UHFFFAOYSA-L
【SMILES】
C1C[N+]2(CC[N+]1(CC2)Br)Br.[Br-].[Br-]
【MOL File】
1,4-DIBROMO-1,4-DIAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIBROMO-1,4-DIAZABICYCLO[2.2.2]OCTANE-1,4-DIIUM DIBROMIDE.cml