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3-Piperazin-1-yl-6-pyridin-4-ylpyridazine - ≥98% , CAS No.1105195-37-6
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
| Canonical Smiles | C1CN(CCN1)C2=NN=C(C=C2)C3=CC=NC=C3 |
|---|---|
| IUPAC Name | 3-piperazin-1-yl-6-pyridin-4-ylpyridazine |
| InChIKey | BHPPRTFRPREAMC-UHFFFAOYSA-N |
| INCHI | 1S/C13H15N5/c1-2-13(18-9-7-15-8-10-18)17-16-12(1)11-3-5-14-6-4-11/h1-6,15H,7-10H2 |
| Isomeric SMILES | C1CN(CCN1)C2=NN=C(C=C2)C3=CC=NC=C3 |
| PubChem CID | 33676351 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Diazinanes
- Subclass Piperazines
- Class Diazinanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Dialkylarylamines Aminopyridazines Pyridines and derivatives Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Dialkylarylamine - Aminopyridazine - Pyridazine - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 241.290 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.133 Da |
| Monoisotopic Mass | 241.133 Da |
| Topological Polar Surface Area | 53.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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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