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Desmedipham

CAT: 0013-GTR19202014-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202014-02Size:50 mg
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Description
Desmedipham is a selective carbamate herbicide used in agricultural research to study its mechanism of action on plant photosynthesis. It serves as a tool compound in both in vitro enzyme inhibition assays and in vivo plant physiology studies.
CAS Number
13684-56-5
Smiles
CCOC (=O) Nc1cccc (OC (=O) Nc2ccccc2) c1
Molecular Formula
C16H16N2O4
Molecular Weight
300.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Desmedipham

Desmedipham is a carbamate ester that is phenylcarbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(ethoxycarbonyl)amino]phenyl group. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is functionally related to a phenylcarbamic acid.

CAS Number13684-56-5
PubChem CID24743
IUPAC Name[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
Molecular FormulaC16H16N2O4
Molecular Weight300.31
XLogP3.4
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity369
SMILES
CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey
WZJZMXBKUWKXTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmedipham
CAS: 13684-56-5
CID: 24743
Formula: C16H16N2O4
MW: 300.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.31
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass300.11100700
Monoisotopic Mass300.11100700
Topological Polar Surface Area76.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity369
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

Alternative Products

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NAA68456Desmedipham
HY-116482RDesmedipham (Standard)

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