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2-(Aminomethyl)phenol hydrochloride - 97%, high purity , CAS No.61626-91-3

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2-(Aminomethyl)phenol hydrochloride - 97%, high purity , CAS No.61626-91-3

COA

Grade & Purity:

≥97%

Cas Number: 61626-91-3
Molecular Weight: 159.61
PubChem CID: 22058465

In stock

Item Number

A194213

Grouped product items
SKU	Size	Availability	Price	Qty
A194213-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
A194213-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90

Basic Description

Synonyms	2-(aminomethyl)phenol hydrochloride \| 61626-91-3 \| 142418-57-3 \| 2-(aminomethyl)phenol;hydrochloride \| CHEMBL3114402 \| aminomethylphenol hydrochloride \| SCHEMBL3572029 \| o-hydroxybenzylamine hydrochloride \| DTXSID80622123 \| 2-(aminomethyl)phenolhydrochloride \| RTKWXHAMMQCKLK
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Amine - Hydrochloride - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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)

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

Associated Targets(non-human)

AOC1 Amiloride-sensitive amine oxidase [copper-containing] (20 Activities)

Discover Target: AOC1

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

IUPAC Name	2-(aminomethyl)phenol;hydrochloride
INCHI	InChI=1S/C7H9NO.ClH/c8-5-6-3-1-2-4-7(6)9;/h1-4,9H,5,8H2;1H
InChIKey	RTKWXHAMMQCKLK-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CN)O.Cl
Isomeric SMILES	C1=CC=C(C(=C1)CN)O.Cl
Molecular Weight	159.61
Reaxy-Rn	6702881
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6702881&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	159.610 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	159.045 Da
Monoisotopic Mass	159.045 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	85.000
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	2

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