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Piperonyl Butoxide-d9

CAT: 0572-TRC-P490202-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P490202-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329834-53-8
Synonyms
5-[2-[2-(1,1,2,2,3,3,4,4,4-Nonadeuteriobutoxy)ethoxy]ethoxymethyl]-6-propyl-1,3-benzodioxole; Piperonylbutoxide D9 (butyl-D9)
Hazard Statement
Very toxic to aquatic life; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCOCCOCc1cc2OCOc2cc1CCC
Molecular Formula
C19 2H9 H21 O5
Molecular Weight
347.49
InChI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3/i1D3,3D2,5D2,7D2
Additionnal Information
IUPAC name: 5-[2-[2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethoxy]ethoxymethyl]-6-propyl-1,3-benzodioxole
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Piperonyl Butoxide-d9
CAS Number1329834-53-8
PubChem CID71751693
IUPAC Name5-[2-[2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutoxy)ethoxy]ethoxymethyl]-6-propyl-1,3-benzodioxole
Molecular FormulaC19H30O5
Molecular Weight347.5
XLogP3.7
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity312
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCOCCOCC1=CC2=C(C=C1CCC)OCO2
InChI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3/i1D3,3D2,5D2,7D2
InChIKey
FIPWRIJSWJWJAI-NPNXCVMYSA-N
Chemical Structure
2D Structure
2D structure of Piperonyl Butoxide-d9
CAS: 1329834-53-8
CID: 71751693
Formula: C19H30O5
MW: 347.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass347.26581477
Monoisotopic Mass347.26581477
Topological Polar Surface Area46.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity312
Isotope Atom Count9
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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