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3-Acetamidobenzoic Acid - >99.0% , high purity , CAS No.587-48-4

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3-Acetamidobenzoic Acid - >99.0% , high purity , CAS No.587-48-4

COA

Grade & Purity:

≥99%

Cas Number: 587-48-4
Molecular Weight: 179.18
Beilstein Registry Number: 14(2)241
MDL number: MFCD00013983
PubChem CID: 48847
PubChem SID: 504753653

In stock

Item Number

A151454

Grouped product items
SKU	Size	Availability	Price
A151454-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
A151454-5g	5g	3	$11.90
A151454-25g	25g	3	$43.90
A151454-100g	100g	1	$157.90

View related series

Chemical Biology (1255) Peptide chemistry (314)

Basic Description

Synonyms	A0012 \| EINECS 209-600-9 \| D88199 \| MFCD00013983 \| m-Acetamino benzoic acid \| m-Acetylaminobenzoesaure \| AKOS000104733 \| BS-3967 \| Oprea1_558864 \| 1-Methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-pyrrole-2-carboxylicacid \| EN300-18358 \| 3-(acetamid
Specifications & Purity	≥99%
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 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 - 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

Associated Targets(Human)

NEU3 Tchem Sialidase 3 (398 Activities)

Discover Target: NEU3

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

Pubchem Sid	504753653
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753653
IUPAC Name	3-acetamidobenzoic acid
INCHI	InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey	RGDPZMQZWZMONQ-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC=CC(=C1)C(=O)O
Isomeric SMILES	CC(=O)NC1=CC=CC(=C1)C(=O)O
Molecular Weight	179.18
Beilstein	14(2)241
Reaxy-Rn	2210867
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210867&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.

5 results found

Lot Number	Certificate Type	Date	Item
I2207243	Certificate of Analysis	Jul 08, 2022	A151454
E2319264	Certificate of Analysis	Jul 08, 2022	A151454
I2207264	Certificate of Analysis	Jul 08, 2022	A151454
I2207273	Certificate of Analysis	Jul 08, 2022	A151454
E2319257	Certificate of Analysis	Jul 08, 2022	A151454

Chemical and Physical Properties

Melt Point(°C)	248 °C
Molecular Weight	179.170 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	179.058 Da
Monoisotopic Mass	179.058 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	215.000
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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