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33451-96-6 | 1,1,4-trimethyl-4-{2-[(2,2,4,4-tetramethylpentanoyl)oxy]ethyl}piperazinediium diiodide
CAS No: 33451-96-6 Catalog No: AG007FD8 MDL No:
Product Description
Catalog Number:
AG007FD8
Chemical Name:
1,1,4-trimethyl-4-{2-[(2,2,4,4-tetramethylpentanoyl)oxy]ethyl}piperazinediium diiodide
CAS Number:
33451-96-6
Molecular Formula:
C18H38I2N2O2
Molecular Weight:
568.3155
IUPAC Name:
2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl 2,2,4,4-tetramethylpentanoate;diiodide
InChI:
InChI=1S/C18H38N2O2.2HI/c1-17(2,3)15-18(4,5)16(21)22-14-13-20(8)11-9-19(6,7)10-12-20;;/h9-15H2,1-8H3;2*1H/q+2;;/p-2
InChI Key:
JQHANXAOHDLSFT-UHFFFAOYSA-L
SMILES:
O=C(C(CC(C)(C)C)(C)C)OCC[N+]1(C)CC[N+](CC1)(C)C.[I-].[I-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.323g/mol
Monoisotopic Mass:
568.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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