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109448-61-5 | [Oxybis(pentamethylene)]bis[trimethylammoniumiodide] (6CI)
CAS No: 109448-61-5 Catalog No: AG007T1W MDL No:
Product Description
Catalog Number:
AG007T1W
Chemical Name:
[Oxybis(pentamethylene)]bis[trimethylammoniumiodide] (6CI)
CAS Number:
109448-61-5
Molecular Formula:
C16H38I2N2O
Molecular Weight:
528.2947
IUPAC Name:
trimethyl-[5-[5-(trimethylazaniumyl)pentoxy]pentyl]azanium;diiodide
InChI:
InChI=1S/C16H38N2O.2HI/c1-17(2,3)13-9-7-11-15-19-16-12-8-10-14-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
CJCHXUPJGGBJMH-UHFFFAOYSA-L
SMILES:
C[N+](CCCCCOCCCCC[N+](C)(C)C)(C)C.[I-].[I-]
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.302g/mol
Monoisotopic Mass:
528.107g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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