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Halogenated Heterocycles
2-(Aminomethyl)-4-chlorophenol - ≥95%, high purity , CAS No.3970-05-6

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2-(Aminomethyl)-4-chlorophenol - ≥95%, high purity , CAS No.3970-05-6

COA

Grade & Purity:

≥95%

Cas Number: 3970-05-6
Molecular Weight: 157.6
PubChem CID: 230844

In stock

Item Number

C735558

Grouped product items
SKU	Size	Availability	Price
C735558-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$191.90
C735558-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$325.90
C735558-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$879.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	P-chlorophenols Benzylamines Chlorobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organopnictogen compounds Organooxygen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - 4-chlorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Aralkylamine - Halobenzene - Phenol - Aryl chloride - Aryl halide - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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

Product Properties

ALogP	1.2

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

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)-4-chlorophenol
INCHI	InChI=1S/C7H8ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H,4,9H2
InChIKey	PTZMBOCHADEFMC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)CN)O
Isomeric SMILES	C1=CC(=C(C=C1Cl)CN)O
PubChem CID	230844
Molecular Weight	157.6

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	157.600 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	157.029 Da
Monoisotopic Mass	157.029 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110.000
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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