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106479-06-5 | Piperazinium, 1,1'-(1,4-butanediyl)bis[1,4-dimethyl-, diiodide
CAS No: 106479-06-5 Catalog No: AG007CKM MDL No:
Product Description
Catalog Number:
AG007CKM
Chemical Name:
Piperazinium, 1,1'-(1,4-butanediyl)bis[1,4-dimethyl-, diiodide
CAS Number:
106479-06-5
Molecular Formula:
C16H36I2N4
Molecular Weight:
538.2928
IUPAC Name:
1-[4-(1,4-dimethylpiperazin-1-ium-1-yl)butyl]-1,4-dimethylpiperazin-1-ium;diiodide
InChI:
InChI=1S/C16H36N4.2HI/c1-17-7-13-19(3,14-8-17)11-5-6-12-20(4)15-9-18(2)10-16-20;;/h5-16H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
IMUUZHHJMVJGTB-UHFFFAOYSA-L
SMILES:
CN1CC[N+](CC1)(C)CCCC[N+]1(C)CCN(CC1)C.[I-].[I-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.301g/mol
Monoisotopic Mass:
538.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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