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Benzenemethanaminium,N,N,N,2,4,6-hexamethyl-, iodide (1:1) 5350-44-7 C13H22 N . I
Identification and Related Records
【Name】
Benzenemethanaminium,N,N,N,2,4,6-hexamethyl-, iodide (1:1)
【Iupac name】
trimethyl-[(2,4,6-trimethylphenyl)methyl]azanium iodide
【CAS Registry number】
5350-44-7
【Synonyms】
Ammonium,trimethyl(2,4,6-trimethylbenzyl)-, iodide (8CI)
Trimethyl(2,4,6-trimethylbenzyl)ammonium iodide (6CI)
【Molecular Formula】
C13H22 N . I (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C13H22N/c1-10-7-11(2)13(12(3)8-10)9-14(4,5)6/h7-8H,9H2,1-6H3/q+1
【Canonical SMILES】
CC1=CC(=C(C(=C1)C)C[N+](C)(C)C)C.[I-]
【MOL File】
5350-44-7.mol
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:319.22495 [g/mol]
Molecular Formula:C13H22IN
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:319.079693
MonoIsotopic Mass:319.079693
Topological Polar Surface Area:0
Heavy Atom Count:15
Formal Charge:0
Complexity:168
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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