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3-Bromo-2-(4-ethylpiperazino)-5-methylpyridine - 98%, high purity , CAS No.1187386-39-5

COA

Grade & Purity:

≥98%

Cas Number: 1187386-39-5
Molecular Weight: 284.2
PubChem CID: 46739810

In stock

Item Number

B179959

Grouped product items
SKU	Size	Availability	Price	Qty
B179959-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90
B179959-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,731.90

Basic Description

Synonyms	1187386-39-5 \| 1-(3-Bromo-5-methylpyridin-2-yl)-4-ethylpiperazine \| 3-Bromo-2-(4-ethylpiperazino)-5-methylpyridine \| DTXSID00675393 \| MFCD12913990 \| AKOS015834403 \| BS-22618 \| CS-0442110 \| A892944
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Dialkylarylamines N-alkylpiperazines Methylpyridines Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-arylpiperazine - Pyridinylpiperazine - Dialkylarylamine - Aminopyridine - Methylpyridine - N-alkylpiperazine - Aryl bromide - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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	1-(3-bromo-5-methylpyridin-2-yl)-4-ethylpiperazine
INCHI	InChI=1S/C12H18BrN3/c1-3-15-4-6-16(7-5-15)12-11(13)8-10(2)9-14-12/h8-9H,3-7H2,1-2H3
InChIKey	RLXHWKLZSIIZPG-UHFFFAOYSA-N
Smiles	CCN1CCN(CC1)C2=C(C=C(C=N2)C)Br
Isomeric SMILES	CCN1CCN(CC1)C2=C(C=C(C=N2)C)Br
PubChem CID	46739810
Molecular Weight	284.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	284.200 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	283.068 Da
Monoisotopic Mass	283.068 Da
Topological Polar Surface Area	19.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216.000
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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