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3-(Piperazin-1-ylmethyl)-1H-pyrrolo[2，3-b]pyridine - ≥95%, high purity , CAS No.625386-57-4

COA

Grade & Purity:

≥95%

Cas Number: 625386-57-4
Molecular Weight: 216.29
PubChem CID: 15817602

In stock

Item Number

H728576

Grouped product items
SKU	Size	Availability	Price
H728576-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90
H728576-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$264.90
H728576-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$658.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyridines
Alternative Parents	N-alkylpiperazines Aralkylamines Substituted pyrroles Pyridines and derivatives Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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-(piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
INCHI	InChI=1S/C12H16N4/c1-2-11-10(8-15-12(11)14-3-1)9-16-6-4-13-5-7-16/h1-3,8,13H,4-7,9H2,(H,14,15)
InChIKey	MCGNRNJEWMZYON-UHFFFAOYSA-N
Smiles	C1CN(CCN1)CC2=CNC3=C2C=CC=N3
Isomeric SMILES	C1CN(CCN1)CC2=CNC3=C2C=CC=N3
PubChem CID	15817602
Molecular Weight	216.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.280 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	216.137 Da
Monoisotopic Mass	216.137 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	227.000
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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