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Propoxur-d3 (N-Methyl-d3)

CAT: 0572-TRC-P830806-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P830806-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219798-56-7
Synonyms
Propoxur D3 (N-methyl D3); Propoxur D3 (methyl D3)
Hazard Statement
Fatal if swallowed; UN number: UN2757; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])NC(=O)Oc1ccccc1OC(C)C
Molecular Formula
C11 2H3 H12 N O3
Molecular Weight
212.26
InChI
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)/i3D3
Additionnal Information
IUPAC name: (2-propan-2-yloxyphenyl) N-(trideuteriomethyl)carbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Propoxur-d3
CAS Number1219798-56-7
PubChem CID129318214
IUPAC Name(2-propan-2-yloxyphenyl) N-(trideuteriomethyl)carbamate
Molecular FormulaC11H15NO3
Molecular Weight212.26
XLogP1.5
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity206
SMILES
[2H]C([2H])([2H])NC(=O)OC1=CC=CC=C1OC(C)C
InChI
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)/i3D3
InChIKey
ISRUGXGCCGIOQO-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of Propoxur-d3
CAS: 1219798-56-7
CID: 129318214
Formula: C11H15NO3
MW: 212.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.26
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass212.12402358
Monoisotopic Mass212.12402358
Topological Polar Surface Area47.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity206
Isotope Atom Count3
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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