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79093-72-4 | N,N,N,N-Tetramethylethylenediammonium bis(m-cresol-6-sulphonate)
CAS No: 79093-72-4 Catalog No: AG0053V8 MDL No:
Product Description
Catalog Number:
AG0053V8
Chemical Name:
N,N,N,N-Tetramethylethylenediammonium bis(m-cresol-6-sulphonate)
CAS Number:
79093-72-4
Molecular Formula:
C20H32N2O8S2
Molecular Weight:
492.6067
IUPAC Name:
2-(dimethylazaniumyl)ethyl-dimethylazanium;2-hydroxy-4-methylbenzenesulfonate
InChI:
InChI=1S/2C7H8O4S.C6H16N2/c2*1-5-2-3-7(6(8)4-5)12(9,10)11;1-7(2)5-6-8(3)4/h2*2-4,8H,1H3,(H,9,10,11);5-6H2,1-4H3
InChI Key:
VUXWDSNOIHYPMA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)O)S(=O)(=O)[O-].Cc1ccc(c(c1)O)S(=O)(=O)[O-].C[NH+](CC[NH+](C)C)C
EC Number:
279-058-6
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.16g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
492.602g/mol
Monoisotopic Mass:
492.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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