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Home > Other Heterocycles > 100242-19-1
100242-19-1 | 1,4-Diazabicyclo[2.2.2]octane, sulfate (1:2)
CAS No: 100242-19-1 Catalog No: AG0001CX MDL No:
Product Description
Catalog Number:
AG0001CX
Chemical Name:
1,4-Diazabicyclo[2.2.2]octane, sulfate (1:2)
CAS Number:
100242-19-1
Molecular Formula:
C6H16N2O8S2
Molecular Weight:
308.3298
IUPAC Name:
1,4-diazabicyclo[2.2.2]octane;sulfuric acid
InChI:
InChI=1S/C6H12N2.2H2O4S/c1-2-8-5-3-7(1)4-6-8;2*1-5(2,3)4/h1-6H2;2*(H2,1,2,3,4)
InChI Key:
STYHYXLLISQONU-UHFFFAOYSA-N
SMILES:
C1CN2CCN1CC2.OS(=O)(=O)O.OS(=O)(=O)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
308.32g/mol
Monoisotopic Mass:
308.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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