for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CC2(CCNC2)NC1=O.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | 1,7-diazaspiro[4.4]nonan-2-one;2,2,2-trifluoroacetic acid |
| InChIKey | VXBWFTBSMZXDLJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H12N2O.C2HF3O2/c10-6-1-2-7(9-6)3-4-8-5-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7) |
| Isomeric SMILES | C1CC2(CCNC2)NC1=O.C(=O)(C(F)(F)F)O |
| Molecular Weight | 254.21 |
| Reaxy-Rn | 37251206 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37251206&ln= |
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 |
| Direct Parent | Delta amino acids and derivatives |
| Alternative Parents | Diazaspirononane derivatives Pyrrolidine-2-ones Alpha-halocarboxylic acids Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Delta amino acid or derivatives - Diazaspirononane - 2-pyrrolidone - Pyrrolidone - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 254.210 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 254.088 Da |
| Monoisotopic Mass | 254.088 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
![1,7-Diazaspiro[4.4]nonan-2-one tfa salt (1:1) - CAS No(1566649-47-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D167583.png)