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3-Aminobenzene-1,2-diol - 95%, high purity , CAS No.20734-66-1

COA

Grade & Purity:

≥95%

Cas Number: 20734-66-1
Molecular Weight: 125.13
PubChem CID: 189460

In stock

Item Number

A191986

Grouped product items
SKU	Size	Availability	Price	Qty
A191986-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$194.90
A191986-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$464.90

View related series

Amino Acid/Protein Metabolism (1836)

Basic Description

Synonyms	3-aminobenzene-1,2-diol \| 20734-66-1 \| 3-amino-1,2-benzenediol \| Benzenediol, amino- \| 117001-65-7 \| Pyrocatechol, 3-amino- \| Aminobenzenediol \| 2,3-Dihydroxyaniline; 3-Aminocatechol; 3-Aminopyrocatechol \| Catecholamine \| Brenzkatechinamine \| 2,3-dihydroxyaniline \| SCHEMBL5556
Specifications & Purity	≥95%
Shipped In	Normal

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	Catechols
Alternative Parents	o-Aminophenols m-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 - Catechol - Aniline or substituted anilines - O-aminophenol - M-aminophenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol 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

Names and Identifiers

IUPAC Name	3-aminobenzene-1,2-diol
INCHI	InChI=1S/C6H7NO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H,7H2
InChIKey	MGBKJKDRMRAZKC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)O)O)N
Isomeric SMILES	C1=CC(=C(C(=C1)O)O)N
Molecular Weight	125.13
Reaxy-Rn	2802699
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802699&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	125.130 g/mol
XLogP3	0.500
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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