≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl |
|---|---|
| IUPAC Name | (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrate;hydrochloride |
| InChIKey | GZQWMYVDLCUBQX-WVZIYJGPSA-N |
| INCHI | 1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1 |
| Isomeric SMILES | C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4.O.Cl |
| Alternate CAS | 914462-92-3 |
| Molecular Weight | 554.95 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Phenylpiperidines Trifluoromethylbenzenes Azaspirodecane derivatives Benzylethers Aralkylamines Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Azacyclic compounds Dialkyl ethers Dialkylamines Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Delta amino acid or derivatives - Phenylpiperidine - Azaspirodecane - Trifluoromethylbenzene - Benzylether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyrrolidone - Benzenoid - 2-pyrrolidone - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Secondary amine - Azacycle - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Ether - Hydrochloride - Organohalogen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl fluoride - Amine - Aromatic 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 | 555.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 554.177 Da |
| Monoisotopic Mass | 554.177 Da |
| Topological Polar Surface Area | 51.400 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 731.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
