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4-Aminobenzene-1，3-diol - ≥97%, high purity , CAS No.13066-95-0

COA

Grade & Purity:

≥97%

Cas Number: 13066-95-0
Molecular Weight: 125.13
PubChem CID: 432827

In stock

Item Number

A697683

Grouped product items
SKU	Size	Availability	Price	Qty
A697683-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90
A697683-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90

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Heterocyclic block (497)

Basic Description

Synonyms	4-Aminoresorcinol \| 4-Amino-1,3-Benzenediol \| 4-Amino-1,3-benzenediol
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Resorcinols
Alternative Parents	p-Aminophenols o-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminophenol - P-aminophenol - O-aminophenol - Resorcinol - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
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

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	4-aminobenzene-1,3-diol
INCHI	InChI=1S/C6H7NO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H,7H2
InChIKey	ROCVGJLXIARCAC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1O)O)N
Isomeric SMILES	C1=CC(=C(C=C1O)O)N
PubChem CID	432827
Molecular Weight	125.13

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.

3 results found

Lot Number	Certificate Type	Date	Item
J2425380	Certificate of Analysis	Oct 18, 2024	A697683
J2425381	Certificate of Analysis	Oct 18, 2024	A697683
J2425383	Certificate of Analysis	Oct 18, 2024	A697683

Chemical and Physical Properties

Molecular Weight	125.130 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	125.048 Da
Monoisotopic Mass	125.048 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.100
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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