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4-Aminobenzoic acid sodium salt hydrate - 99%, high purity , CAS No.206557-08-6

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4-Aminobenzoic acid sodium salt hydrate - 99%, high purity , CAS No.206557-08-6

COA

Grade & Purity:

≥99%

Cas Number: 206557-08-6
MDL number: MFCD00151040
PubChem CID: 16212299
PubChem SID: 504768167

In stock

Item Number

A474259

Grouped product items
SKU	Size	Availability	Price
A474259-5g	5g	3	$17.90
A474259-25g	25g	3	$69.90
A474259-100g	100g	3	$227.90

Basic Description

Synonyms	4-Aminobenzoic acid,sodium salt hydrate,99% \| HMS2231H07 \| SMR000875340 \| DTXSID60583607 \| MLS001335933 \| sodium;4-aminobenzoate;hydrate \| 4-Aminobenzoic acid sodium salt hydrate, 99% \| 4-AMINOBENZOIC ACID SODIUM SALT \| HMS3369E10 \| AKOS015888339 \| Sodiu
Specifications & Purity	≥99%
Storage Temp	Protected from light

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Aniline and substituted anilines Carboxylic acid salts Amino acids Carboxylic acids Primary amines Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic salt - Organic sodium salt - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
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)

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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	504768167
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768167
IUPAC Name	sodium;4-aminobenzoate;hydrate
INCHI	InChI=1S/C7H7NO2.Na.H2O/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H,9,10);;1H2/q;+1;/p-1
InChIKey	HWVSNYIAZJHZFQ-UHFFFAOYSA-M
Smiles	C1=CC(=CC=C1C(=O)[O-])N.O.[Na+]
Isomeric SMILES	C1=CC(=CC=C1C(=O)[O-])N.O.[Na+]
WGK Germany	3
RTECS	DG2975000
PubChem CID	16212299

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.

6 results found

Lot Number	Certificate Type	Date	Item
G2318416	Certificate of Analysis	Jun 27, 2023	A474259
G2318396	Certificate of Analysis	Jun 27, 2023	A474259
G2318397	Certificate of Analysis	Jun 27, 2023	A474259
G2318393	Certificate of Analysis	Jun 27, 2023	A474259
G2318392	Certificate of Analysis	Jun 27, 2023	A474259
G2318429	Certificate of Analysis	Jun 27, 2023	A474259

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	177.130 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	177.04 Da
Monoisotopic Mass	177.04 Da
Topological Polar Surface Area	67.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132.000
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	3

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