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2-(1-Pyrazolyl)benzylamine - ≥95%, high purity , CAS No.449758-13-8

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2-(1-Pyrazolyl)benzylamine - ≥95%, high purity , CAS No.449758-13-8

COA

Grade & Purity:

≥95%

Cas Number: 449758-13-8
Molecular Weight: 173.22
PubChem CID: 7015036

In stock

Item Number

B710053

Grouped product items
SKU	Size	Availability	Price
B710053-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
B710053-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
B710053-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$507.90

View related series

Aromatic heterocyclic compounds (462) Aryl∩amine (5) Pyrazole compounds (95)

Basic Description

Synonyms	1-[2-(1H-Pyrazol-1-yl)phenyl]methanamine \| 2-(1H-Pyrazol-1-yl)benzylamine
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 Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Phenylmethylamines Benzylamines Aralkylamines Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Phenylmethylamine - Benzylamine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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(non-human)

Pseudomonas aeruginosa (123386 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-pyrazol-1-ylphenyl)methanamine
INCHI	InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2
InChIKey	SJMJUZRSTJBVPG-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CN)N2C=CC=N2
Isomeric SMILES	C1=CC=C(C(=C1)CN)N2C=CC=N2
PubChem CID	7015036
Molecular Weight	173.22

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	173.210 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	173.095 Da
Monoisotopic Mass	173.095 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160.000
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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