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Pyriproxyfen

CAT: 0572-TRC-P998850-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P998850-250MGSize:250 mg
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CAS Number
95737-68-1
Hazard Statement
Harmful if inhaled; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(COc1ccc(Oc2ccccc2)cc1)Oc3ccccn3
Molecular Formula
C20 H19 N O3
Molecular Weight
321.37
InChI
InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
Additionnal Information
IUPAC name: 2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pyriproxyfen

Pyriproxyfen is an aromatic ether that consists of propylene glycol having a 2-pyridyl group at the O-1 position and a 4-phenoxyphenyl group at the O-3 position. It has a role as a juvenile hormone mimic. It is a member of pyridines and an aromatic ether. It is functionally related to a 4-phenoxyphenol.

CAS Number95737-68-1
PubChem CID91753
IUPAC Name2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
Molecular FormulaC20H19NO3
Molecular Weight321.4
XLogP4.8
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity338
SMILES
CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3
InChI
InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
InChIKey
NHDHVHZZCFYRSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyriproxyfen
CAS: 95737-68-1
CID: 91753
Formula: C20H19NO3
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass321.13649347
Monoisotopic Mass321.13649347
Topological Polar Surface Area40.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes