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Tributylphosphine oxide (Standard)

CAT: 0804-HY-W034681RSize: 1 EachDry Ice: NoHazardous: No
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Description
Tributylphosphine oxide (Standard) is the analytical standard of Tributylphosphine oxide. This product is intended for research and analytical applications.
CAS Number
814-29-9
UNSPSC
12352211
Target
Reference Standards
Related Pathways
Others
Smiles
O=P(CCCC)(CCCC)CCCC
Molecular Formula
C12H27OP
Molecular Weight
218.32
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Tributylphosphine oxide
CAS Number814-29-9
PubChem CID13138
IUPAC Name1-dibutylphosphorylbutane
Molecular FormulaC12H27OP
Molecular Weight218.32
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity137
SMILES
CCCCP(=O)(CCCC)CCCC
InChI
InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKey
MNZAKDODWSQONA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tributylphosphine oxide
CAS: 814-29-9
CID: 13138
Formula: C12H27OP
MW: 218.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.32
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass218.179952478
Monoisotopic Mass218.179952478
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity137
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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