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200730-57-0 | 1H-Imidazolium, 4,5-dihydro-1,3-bis(2,4,6-trimethylphenyl)-, iodide (1:1)
CAS No: 200730-57-0 Catalog No: AG002CXU MDL No:
Product Description
Catalog Number:
AG002CXU
Chemical Name:
1H-Imidazolium, 4,5-dihydro-1,3-bis(2,4,6-trimethylphenyl)-, iodide (1:1)
CAS Number:
200730-57-0
Molecular Formula:
C21H29IN2
Molecular Weight:
436.3728
IUPAC Name:
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-1-ium;iodide
InChI:
InChI=1S/C21H28N2.HI/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h9-12H,7-8,13H2,1-6H3;1H
InChI Key:
OBJJJNIORFPEGI-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)N1CC[NH+](C1)c1c(C)cc(cc1C)C.[I-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.138g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.381g/mol
Monoisotopic Mass:
436.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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