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4-Acetamido-2-methylbenzoic Acid - >96.0%(HPLC)(T), high purity , CAS No.103204-69-9

COA

Grade & Purity:

≥96%(HPLC)(T)

Cas Number: 103204-69-9
Molecular Weight: 193.2
MDL number: MFCD02258874
PubChem CID: 2735224

In stock

Item Number

A151470

Grouped product items
SKU	Size	Availability	Price
A151470-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
A151470-5g	5g	1	$49.90
A151470-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90

View related series

Chemical Biology (1255) Peptide chemistry (314)

Basic Description

Synonyms	D88534 \| MFCD02258874 \| 4-Acetamido-2-methylbenzoicacid \| DTXSID50370624 \| AE-562/43460584 \| Benzoic acid,4-(acetylamino)-2-methyl- \| 4-Acetamido-2-methylbenzoic acid \| 4-acetamido-2-methyl-benzoic Acid \| 4-(acetylamino)-2-methylbenzoic acid \| Benzoic aci
Specifications & Purity	≥96%(HPLC)(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	Acetanilides N-acetylarylamines Benzoic acids Benzoyl derivatives Toluenes Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - Acetanilide - Benzoic acid - N-acetylarylamine - Anilide - Benzoyl - N-arylamide - Toluene - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
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

Names and Identifiers

IUPAC Name	4-acetamido-2-methylbenzoic acid
INCHI	InChI=1S/C10H11NO3/c1-6-5-8(11-7(2)12)3-4-9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKey	AQPDTYYKDYMCTH-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
Isomeric SMILES	CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
WGK Germany	3
Molecular Weight	193.2
Reaxy-Rn	3272315
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3272315&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
G2114163	Certificate of Analysis	Apr 03, 2025	A151470
G2114164	Certificate of Analysis	Apr 03, 2025	A151470
H2406090	Certificate of Analysis	Apr 27, 2024	A151470
H2406091	Certificate of Analysis	Apr 27, 2024	A151470

Chemical and Physical Properties

Melt Point(°C)	237℃
Molecular Weight	193.200 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	193.074 Da
Monoisotopic Mass	193.074 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240.000
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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