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87980-34-5 | 1H-Imidazolium, 1,3-dimethyl-2-[[4-(methylamino)phenyl]azo]-, methylsulfate
CAS No: 87980-34-5 Catalog No: AG004LMC MDL No:
Product Description
Catalog Number:
AG004LMC
Chemical Name:
1H-Imidazolium, 1,3-dimethyl-2-[[4-(methylamino)phenyl]azo]-, methylsulfate
CAS Number:
87980-34-5
Molecular Formula:
C13H21N5O4S
Molecular Weight:
343.4019
IUPAC Name:
4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N-methylaniline;methyl sulfate
InChI:
InChI=1S/C12H17N5.CH4O4S/c1-13-10-4-6-11(7-5-10)14-15-12-16(2)8-9-17(12)3;1-5-6(2,3)4/h4-9,12-13H,1-3H3;1H3,(H,2,3,4)
InChI Key:
QPPYBLYMKZUYGC-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)[O-].CNc1ccc(cc1)N=NC1N(C)C=C[NH+]1C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.402g/mol
Monoisotopic Mass:
343.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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