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7182-86-7 | Tetrabutylammonium 4-methylbenzenesulfonate
CAS No: 7182-86-7 Catalog No: AG003UMZ MDL No:MFCD00043227
Product Description
Catalog Number:
AG003UMZ
Chemical Name:
Tetrabutylammonium 4-methylbenzenesulfonate
CAS Number:
7182-86-7
Molecular Formula:
C23H43NO3S
Molecular Weight:
413.6574
MDL Number:
MFCD00043227
IUPAC Name:
4-methylbenzenesulfonate;tetrabutylazanium
InChI:
InChI=1S/C16H36N.C7H8O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
REAVCZWUMGIGSW-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC
EC Number:
230-548-8
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.296g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.661g/mol
Monoisotopic Mass:
413.296g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Development of a novel expression, ZI MAX/K ZI, for determination of the counter-anion effect on the antimicrobial activity of tetrabutylammonium salts. | Bioorganic & medicinal chemistry letters 20090901 |
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