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5574-97-0 | Tetrabutylammonium dihydrogenphosphate
CAS No: 5574-97-0 Catalog No: AG0038ND MDL No:MFCD00064526
Product Description
Catalog Number:
AG0038ND
Chemical Name:
Tetrabutylammonium dihydrogenphosphate
CAS Number:
5574-97-0
Molecular Formula:
C16H38NO4P
Molecular Weight:
339.4510
MDL Number:
MFCD00064526
IUPAC Name:
dihydrogen phosphate;tetrabutylazanium
InChI:
InChI=1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
InChI Key:
ARRNBPCNZJXHRJ-UHFFFAOYSA-M
SMILES:
[O-]P(=O)(O)O.CCCC[N+](CCCC)(CCCC)CCCC
EC Number:
226-947-1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.254g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.457g/mol
Monoisotopic Mass:
339.254g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
80.6A^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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