![2,6-Diaza-spiro[3.4]octan-7-one toluene-4-sulfonic acid salt - ≥97% CAS No(1958100-97-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1009506.jpg)
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2,6-Diaza-spiro[3.4]octan-7-one toluene-4-sulfonic acid salt - ≥97% , CAS No.1958100-97-4
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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 | CC1=CC=C(C=C1)S(=O)(=O)O.C1C(=O)NCC12CNC2 |
|---|---|
| IUPAC Name | 2,6-diazaspiro[3.4]octan-7-one;4-methylbenzenesulfonic acid |
| InChIKey | UPALRTYMDUQVSC-UHFFFAOYSA-N |
| INCHI | 1S/C7H8O3S.C6H10N2O/c1-6-2-4-7(5-3-6)11(8,9)10;9-5-1-6(4-8-5)2-7-3-6/h2-5H,1H3,(H,8,9,10);7H,1-4H2,(H,8,9) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1C(=O)NCC12CNC2 |
| PubChem CID | 121237795 |
| Molecular Weight | 298.36 |
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 | 298.360 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 298.099 Da |
| Monoisotopic Mass | 298.099 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| 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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