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32651-70-0 | 1-{3-[(2,2-dimethylpentanoyl)oxy]propyl}-1,4,4-trimethylpiperazinediium diiodide
CAS No: 32651-70-0 Catalog No: AG007F0P MDL No:
Product Description
Catalog Number:
AG007F0P
Chemical Name:
1-{3-[(2,2-dimethylpentanoyl)oxy]propyl}-1,4,4-trimethylpiperazinediium diiodide
CAS Number:
32651-70-0
Molecular Formula:
C17H36I2N2O2
Molecular Weight:
554.2889
IUPAC Name:
3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpentanoate;diiodide
InChI:
InChI=1S/C17H36N2O2.2HI/c1-7-9-17(2,3)16(20)21-15-8-10-19(6)13-11-18(4,5)12-14-19;;/h7-15H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
FLJMGWFHOBBDKV-UHFFFAOYSA-L
SMILES:
CCCC(C(=O)OCCC[N+]1(C)CC[N+](CC1)(C)C)(C)C.[I-].[I-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.087g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.296g/mol
Monoisotopic Mass:
554.087g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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