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Home > Other Heterocycles > 143245-59-4
143245-59-4 | 1,4-Diazoniabicyclo[2.2.2]octane, 1,4-bis(2-hydroxyethyl)-, dichloride
CAS No: 143245-59-4 Catalog No: AG006W9L MDL No:
Product Description
Catalog Number:
AG006W9L
Chemical Name:
1,4-Diazoniabicyclo[2.2.2]octane, 1,4-bis(2-hydroxyethyl)-, dichloride
CAS Number:
143245-59-4
Molecular Formula:
C10H22Cl2N2O2
Molecular Weight:
273.1999
IUPAC Name:
2-[4-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanol;dichloride
InChI:
InChI=1S/C10H22N2O2.2ClH/c13-9-7-11-1-2-12(5-3-11,6-4-11)8-10-14;;/h13-14H,1-10H2;2*1H/q+2;;/p-2
InChI Key:
MBYKXYSVLZXQLN-UHFFFAOYSA-L
SMILES:
OCC[N+]12CC[N+](CC1)(CC2)CCO.[Cl-].[Cl-]
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.198g/mol
Monoisotopic Mass:
272.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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