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Tetraoctylammonium nitrate

CAT: 0024-sc-237074Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-237074Size:500 mg
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CAS Number
33734-52-0

Chemical Information

Tetraoctylammonium nitrate
CAS Number33734-52-0
PubChem CID16218662
IUPAC Nametetraoctylazanium nitrate
Molecular FormulaC32H68N2O3
Molecular Weight528.9
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count28
Heavy Atom Count37
Formal Charge0
Complexity300
SMILES
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[N+](=O)([O-])[O-]
InChI
InChI=1S/C32H68N.NO3/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;2-1(3)4/h5-32H2,1-4H3;/q+1;-1
InChIKey
MJHKPBXGJMKYAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetraoctylammonium nitrate
CAS: 33734-52-0
CID: 16218662
Formula: C32H68N2O3
MW: 528.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight528.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count28
Exact Mass528.52299404
Monoisotopic Mass528.52299404
Topological Polar Surface Area62.9 Ų
Heavy Atom Count37
Formal Charge0
Complexity300
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

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