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3-ANOT (Standard)

CAT: 0804-HY-136458RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-136458RSize:1 Each
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Description
3-ANOT (Standard) is the analytical standard of 3-ANOT. This product is intended for research and analytical applications. 3-ANOT is a metabolite of Dinitolmide (a nitroamide coccidiostat commonly used in poultry production) [1].
CAS Number
3572-44-9
Product Name Alternative
3-Amino-5-nitro-o-toluamide (Standard)
UNSPSC
12352005
Target
Parasite; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/3-anot-standard.html
Smiles
O=C(N)C1=CC([N+]([O-])=O)=CC(N)=C1C
Molecular Formula
C8H9N3O3
Molecular Weight
195.18
References & Citations
[1]Zhao X, et, al. Development of an ASE-GC-MS/MS method for detecting dinitolmide and its metabolite 3-ANOT in eggs. J Mass Spectrom. 2018 Oct;53 (10) :976-985.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3-Amino-2-methyl-5-nitrobenzamide
CAS Number3572-44-9
PubChem CID19141
IUPAC Name3-amino-2-methyl-5-nitrobenzamide
Molecular FormulaC8H9N3O3
Molecular Weight195.18
XLogP0.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity251
SMILES
CC1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)
InChIKey
RBLRQBGOUCRKRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-2-methyl-5-nitrobenzamide
CAS: 3572-44-9
CID: 19141
Formula: C8H9N3O3
MW: 195.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.18
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass195.06439116
Monoisotopic Mass195.06439116
Topological Polar Surface Area115 Ų
Heavy Atom Count14
Formal Charge0
Complexity251
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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