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Tetrabutylammonium nitrate

CAT: 0024-sc-237019Size: 2 gDry Ice: NoHazardous: No
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CAT#:0024-sc-237019Size:2 g
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CAS Number
1941-27-1

Chemical Information

Tetrabutylammonium nitrate
CAS Number1941-27-1
PubChem CID16027
IUPAC Nametetrabutylazanium nitrate
Molecular FormulaC16H36N2O3
Molecular Weight304.47
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count21
Formal Charge0
Complexity135
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]
InChI
InChI=1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1
InChIKey
QHOKENWFMZXSEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrabutylammonium nitrate
CAS: 1941-27-1
CID: 16027
Formula: C16H36N2O3
MW: 304.47
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass304.27259301
Monoisotopic Mass304.27259301
Topological Polar Surface Area62.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity135
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes