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6-Benzyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one - 98%, high purity , CAS No.909187-64-0

COA

Grade & Purity:

≥98%

Cas Number: 909187-64-0
Molecular Weight: 229.3
PubChem CID: 46839895

In stock

Item Number

B188032

Grouped product items
SKU	Size	Availability	Price
B188032-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$186.90
B188032-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$515.90
B188032-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,717.90

Discover 6-Benzyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one by Aladdin Scientific in 98% for only $186.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	909187-64-0 \| 6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one \| 6-Benzyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one \| 6-benzyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one \| 6-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-ol \| 6
Specifications & Purity	≥98%
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 Pyrazolones Vinylogous amides Pyrazoles Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aralkylamine - Pyrazolinone - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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

Names and Identifiers

IUPAC Name	6-benzyl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
INCHI	InChI=1S/C13H15N3O/c17-13-11-6-7-16(9-12(11)14-15-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17)
InChIKey	XDDWGECWOBJRNT-UHFFFAOYSA-N
Smiles	C1CN(CC2=C1C(=O)NN2)CC3=CC=CC=C3
Isomeric SMILES	C1CN(CC2=C1C(=O)NN2)CC3=CC=CC=C3
Molecular Weight	229.3
Reaxy-Rn	21723911
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21723911&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	229.280 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	229.122 Da
Monoisotopic Mass	229.122 Da
Topological Polar Surface Area	44.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	345.000
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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