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2-Acetamido-5-methoxytoluene - 95%, high purity , CAS No.31601-41-9

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2-Acetamido-5-methoxytoluene - 95%, high purity , CAS No.31601-41-9

COA

Grade & Purity:

≥95%

Cas Number: 31601-41-9
Molecular Weight: 179.2
PubChem CID: 95082

In stock

Item Number

A183628

Grouped product items
SKU	Size	Availability	Price	Qty
A183628-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
A183628-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$542.90

Basic Description

Synonyms	31601-41-9 \| 2-ACETAMIDO-5-METHOXYTOLUENE \| N-(4-Methoxy-2-methylphenyl)acetamide \| Acetamide, N-(4-methoxy-2-methylphenyl)- \| 4-Acetamido-3-methylanisole \| p-Acetanisidide, 2'-methyl- \| 3-Methyl-4-acetylaminoanisole \| Z44O1G96F6 \| MFCD00458126 \| NSC-16606 \| N-(4-Methoxy-2-m
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Acetanilides
Alternative Parents	N-acetylarylamines Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acetanilide - N-acetylarylamine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Toluene - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-(4-methoxy-2-methylphenyl)acetamide
INCHI	InChI=1S/C10H13NO2/c1-7-6-9(13-3)4-5-10(7)11-8(2)12/h4-6H,1-3H3,(H,11,12)
InChIKey	AYRUKGQCGNNMLA-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)OC)NC(=O)C
Isomeric SMILES	CC1=C(C=CC(=C1)OC)NC(=O)C
Molecular Weight	179.2
Reaxy-Rn	2209681
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209681&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.220 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	179.095 Da
Monoisotopic Mass	179.095 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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