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3-(Piperazin-1-yl)benzoic acid hydrochloride - ≥97% , CAS No.1998216-00-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
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Why this grade
≥97% 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
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
| Canonical Smiles | C1CN(CCN1)C2=CC=CC(=C2)C(=O)O.Cl |
|---|---|
| IUPAC Name | 3-piperazin-1-ylbenzoic acid;hydrochloride |
| InChIKey | WUIPIWUUGYGNDI-UHFFFAOYSA-N |
| INCHI | 1S/C11H14N2O2.ClH/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2,(H,14,15);1H |
| Isomeric SMILES | C1CN(CCN1)C2=CC=CC(=C2)C(=O)O.Cl |
| PubChem CID | 122173515 |
| Molecular Weight | 242.7 |
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
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 | 242.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 242.082 Da |
| Monoisotopic Mass | 242.082 Da |
| Topological Polar Surface Area | 52.600 Ų |
| 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 | 2 |
Solution Calculators
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