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Diethyl phosphate

CAT: 1410-M20691-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M20691-02Size:500 mg
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Description
Diethyl phosphate a Non-Specific Metabolite of Organophosphorus Pesticides.
CAS Number
598-02-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
154.1
Molecular Formula
C4H11O4P
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Diethyl phosphate

Diethyl hydrogen phosphate is a dialkyl phosphate having ethyl as the alkyl group. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a diethylphosphate(1-).

CAS Number598-02-7
PubChem CID654
IUPAC Namediethyl hydrogen phosphate
Molecular FormulaC4H11O4P
Molecular Weight154.10
XLogP-0.3
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity103
SMILES
CCOP(=O)(O)OCC
InChI
InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKey
UCQFCFPECQILOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl phosphate
CAS: 598-02-7
CID: 654
Formula: C4H11O4P
MW: 154.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.10
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass154.03949583
Monoisotopic Mass154.03949583
Topological Polar Surface Area55.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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