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Home Other Building Blocks 1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)

1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)

CAS No.:
16436-29-6
Catalog Number:
AG001UUN
Molecular Formula:
C31H57NO2
Molecular Weight:
475.7898
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Product Description
Catalog Number:
AG001UUN
Chemical Name:
1-Hexanaminium, N,N,N-trihexyl-, benzoate (1:1)
CAS Number:
16436-29-6
Molecular Formula:
C31H57NO2
Molecular Weight:
475.7898
MDL Number:
MFCD00041982
IUPAC Name:
tetrahexylazanium;benzoate
InChI:
InChI=1S/C24H52N.C7H6O2/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;8-7(9)6-4-2-1-3-5-6/h5-24H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1
InChI Key:
PSEQWFPWQRZBOO-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccccc1.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
EC Number:
240-492-6
NSC Number:
152111
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.439g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
475.802g/mol
Monoisotopic Mass:
475.439g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and characterization of two novel organic-inorganic compounds based on tetrahexyl and tetraheptyl ammonium ions and the Preyssler anion and their catalytic activities in the synthesis of 4-aminopyrazolo[3,4-d]- pyrimidines. Molecules (Basel, Switzerland) 20100408
Studies on the formation of hydrophobic ion-pairing complex of alendronate. Archives of pharmacal research 20090701
The application of Fe3O4 nanoparticles in cancer research: a new strategy to inhibit drug resistance. Journal of biomedical materials research. Part A 20070315
Ion pair-mediated transport of metoprolol across a three lipid-component PAMPA system. Journal of controlled release : official journal of the Controlled Release Society 20061101
Kinetics and thermodynamics of hexameric capsule formation. Journal of the American Chemical Society 20040310
Hydrophobic ion pairing of isoniazid using a prodrug approach. Journal of pharmaceutical sciences 20020601
Purification of recombinant brain derived neurotrophic factor using reversed phase displacement chromatography. Biotechnology progress 20010101
Properties