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5-Bromo-2-piperazinopyridine, HCl - 98%, high purity , CAS No.1187386-40-8
Discover 5-Bromo-2-piperazinopyridine, HCl by Aladdin Scientific in 98% for only $1,110.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1187386-40-8 | 1-(5-Bromopyridin-2-yl)piperazine hydrochloride | 5-bromo-2-piperazinopyridine, hcl | 1-(5-bromopyridin-2-yl)piperazine;hydrochloride | 1-(5-Bromo-pyridin-2-yl)-piperazine hydrochloride | 1-(5-Bromopyridin-2-yl)piperazine, HCl | 5-Bromo-2-piperazinopyr
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Hydrochloride - 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
Data sources
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.
Names and Identifiers
IUPAC Name
1-(5-bromopyridin-2-yl)piperazine;hydrochloride
INCHI
InChI=1S/C9H12BrN3.ClH/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13;/h1-2,7,11H,3-6H2;1H
InChIKey
ZFURLGADYYNVRE-UHFFFAOYSA-N
Smiles
C1CN(CCN1)C2=NC=C(C=C2)Br.Cl
Isomeric SMILES
C1CN(CCN1)C2=NC=C(C=C2)Br.Cl
PubChem CID
46739828
Molecular Weight
278.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.580 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
276.998 Da
Monoisotopic Mass
276.998 Da
Topological Polar Surface Area
28.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
159.000
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
2
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