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109964-96-7 | Piperidinium, 2,2'-(1,3-propanediyl)bis[1,1-dimethyl-, diiodide
CAS No: 109964-96-7 Catalog No: AG007EEK MDL No:
Product Description
Catalog Number:
AG007EEK
Chemical Name:
Piperidinium, 2,2'-(1,3-propanediyl)bis[1,1-dimethyl-, diiodide
CAS Number:
109964-96-7
Molecular Formula:
C17H36I2N2
Molecular Weight:
522.2901
IUPAC Name:
2-[3-(1,1-dimethylpiperidin-1-ium-2-yl)propyl]-1,1-dimethylpiperidin-1-ium;diiodide
InChI:
InChI=1S/C17H36N2.2HI/c1-18(2)14-7-5-10-16(18)12-9-13-17-11-6-8-15-19(17,3)4;;/h16-17H,5-15H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
BXZVJWCVMJTBEV-UHFFFAOYSA-L
SMILES:
C[N+]1(C)CCCCC1CCCC1CCCC[N+]1(C)C.[I-].[I-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.298g/mol
Monoisotopic Mass:
522.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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