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26501-54-2 | 1-Butanaminium, N,N,N-tributyl-, nitrite (1:1)
CAS No: 26501-54-2 Catalog No: AG002THR MDL No:MFCD00043223
Product Description
Catalog Number:
AG002THR
Chemical Name:
1-Butanaminium, N,N,N-tributyl-, nitrite (1:1)
CAS Number:
26501-54-2
Molecular Formula:
C16H36N2O2
Molecular Weight:
288.4692
MDL Number:
MFCD00043223
IUPAC Name:
tetrabutylazanium;nitrite
InChI:
InChI=1S/C16H36N.HNO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;(H,2,3)/q+1;/p-1
InChI Key:
SHRKDVQQQPFSIY-UHFFFAOYSA-M
SMILES:
CCCC[N+](CCCC)(CCCC)CCCC.[O-]N=O
EC Number:
247-749-1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.278g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.476g/mol
Monoisotopic Mass:
288.278g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.5A^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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