Benzenemethanaminium,N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, salt with1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)OTHER CA INDEX NAMES:1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium


Chemical Name: Benzenemethanaminium,N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, salt with1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)OTHER CA INDEX NAMES:1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium
CAS Number: 90823-38-4
Product Number: AG006M24(AGN-PC-0VR73P)
Synonyms:
MDL No:
Molecular Formula: C28H33N3O4S
Molecular Weight: 507.6443

Identification/Properties


Properties
MP:
175 - 178°C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
507.649g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
507.219g/mol
Monoisotopic Mass:
507.219g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
689
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
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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