Butanedioic acid, compd. with3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide(1:1)OTHER CA INDEX NAMES:1H-Indole-5-methanesulfonamide, 3-[2-(dimethylamino)ethyl]-N-methyl-,butanedioate (1:1)


Chemical Name: Butanedioic acid, compd. with3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide(1:1)OTHER CA INDEX NAMES:1H-Indole-5-methanesulfonamide, 3-[2-(dimethylamino)ethyl]-N-methyl-,butanedioate (1:1)
CAS Number: 103628-48-4
Product Number: AG003UH2(AGN-PC-0OSI7D)
Synonyms:
MDL No:
Molecular Formula: C18H27N3O6S
Molecular Weight: 413.4885

Identification/Properties


Properties
MP:
165-166°C
BP:
647.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
H2O: >20mg/mL
Computed Properties
Molecular Weight:
413.489g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
9
Exact Mass:
413.162g/mol
Monoisotopic Mass:
413.162g/mol
Topological Polar Surface Area:
148A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
498
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


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Chemical Structure



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