≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCC[N+](CCCC)(CCCC)CCCC.C1CC(N2CC1N(C2=O)OS(=O)(=O)[O-])C(=O)N |
|---|---|
| IUPAC Name | [(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;tetrabutylazanium |
| InChIKey | QPZBFPHXHQWBHR-SJGICDGZSA-M |
| INCHI | 1S/C16H36N.C7H11N3O6S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h5-16H2,1-4H3;4-5H,1-3H2,(H2,8,11)(H,13,14,15)/q+1;/p-1/t;4-,5+/m.1/s1 |
| Isomeric SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N |
| PubChem CID | 71116823 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Piperidinecarboxamides 1,3-diazepanes Imidazolidinones Tetraalkylammonium salts Organic sulfuric acids and derivatives Tertiary amines Primary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Not available |
| Substituents | Alpha-amino acid amide - 2-piperidinecarboxamide - Piperidinecarboxamide - 1,3-diazepane - Diazepane - Imidazolidinone - Piperidine - Tetraalkylammonium salt - Imidazolidine - Organic sulfuric acid or derivatives - Quaternary ammonium salt - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic cation - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 506.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 506.314 Da |
| Monoisotopic Mass | 506.314 Da |
| Topological Polar Surface Area | 141.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 559.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1) - ≥98% CAS No(1192651-80-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/9/B980550.jpg)