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1-(3-Azetidinyl)-1H-pyrazole dihydrochloride - ≥96% , CAS No.1221715-95-2
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Storage
Room temperature
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Why this grade
≥96% 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
≥96%
Storage
Room temperature
Purity
≥96%
Names and Identifiers
| Canonical Smiles | C1C(CN1)N2C=CC=N2.Cl.Cl |
|---|---|
| IUPAC Name | 1-(azetidin-3-yl)pyrazole;dihydrochloride |
| InChIKey | SOSRZTOMIOCRBU-UHFFFAOYSA-N |
| INCHI | 1S/C6H9N3.2ClH/c1-2-8-9(3-1)6-4-7-5-6;;/h1-3,6-7H,4-5H2;2*1H |
| Isomeric SMILES | C1C(CN1)N2C=CC=N2.Cl.Cl |
| Alternate CAS | 1221715-95-2,1107627-16-6 |
| PubChem CID | 50988279 |
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
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazoles |
| Alternative Parents | Heteroaromatic compounds Azetidines Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Azetidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. |
| 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 | 196.070 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 195.033 Da |
| Monoisotopic Mass | 195.033 Da |
| Topological Polar Surface Area | 29.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 100.000 |
| 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 | 3 |
Solution Calculators
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Customer Reviews
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