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143230-56-2 | Pyridinium, 4,4'-(1,3-propanediyl)bis[1-(1-methylethyl)-, diiodide
CAS No: 143230-56-2 Catalog No: AG006WHH MDL No:
Product Description
Catalog Number:
AG006WHH
Chemical Name:
Pyridinium, 4,4'-(1,3-propanediyl)bis[1-(1-methylethyl)-, diiodide
CAS Number:
143230-56-2
Molecular Formula:
C19H28I2N2
Molecular Weight:
538.2480
IUPAC Name:
1-propan-2-yl-4-[3-(1-propan-2-ylpyridin-1-ium-4-yl)propyl]pyridin-1-ium;diiodide
InChI:
InChI=1S/C19H28N2.2HI/c1-16(2)20-12-8-18(9-13-20)6-5-7-19-10-14-21(15-11-19)17(3)4;;/h8-17H,5-7H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
TXGCMEIPFHJNIP-UHFFFAOYSA-L
SMILES:
CC([n+]1ccc(cc1)CCCc1cc[n+](cc1)C(C)C)C.[I-].[I-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.034g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.256g/mol
Monoisotopic Mass:
538.034g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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