≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
product description：
Antioxidant
application：
Y 231617 is an antioxidant and is able to prevent ischaemia-induced neurodegeneration. LY 231617 is a neuroprotective and an anti-ischaemic agent.
| Canonical Smiles | CCNCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.Cl |
|---|---|
| IUPAC Name | 2,6-ditert-butyl-4-(ethylaminomethyl)phenol;hydrochloride |
| InChIKey | SIWZKGFBUXQFDK-UHFFFAOYSA-N |
| INCHI | 1S/C17H29NO.ClH/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7;/h9-10,18-19H,8,11H2,1-7H3;1H |
| Isomeric SMILES | CCNCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.Cl |
| Molecular Weight | 299.88 |
| Reaxy-Rn | 7448094 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7448094&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Phenylmethylamines Benzylamines Phenols Aralkylamines Dialkylamines Organopnictogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Benzylamine - Phenylmethylamine - Phenol - Aralkylamine - Secondary aliphatic amine - Secondary amine - Amine - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 29.99, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 29.99, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 299.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 299.202 Da |
| Monoisotopic Mass | 299.202 Da |
| Topological Polar Surface Area | 32.299 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| 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 |
