Determine the necessary mass, volume, or concentration for preparing a solution.
≥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.
| Canonical Smiles | CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.Cl |
|---|---|
| IUPAC Name | 2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride |
| InChIKey | GEDVJGOVRLHFQG-UHFFFAOYSA-N |
| INCHI | 1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H |
| Isomeric SMILES | CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.Cl |
| PubChem CID | 67418070 |
| Molecular Weight | 413.90 |
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 | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - 1,2-aminoalcohol - Ether - Organic nitrogen compound - Hydrochloride - Primary amine - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organopnictogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 13, 2023 | A412394 | |
| Certificate of Analysis | Dec 13, 2023 | A412394 | |
| Certificate of Analysis | Dec 13, 2023 | A412394 | |
| Certificate of Analysis | Dec 13, 2023 | A412394 | |
| Certificate of Analysis | Dec 13, 2023 | A412394 | |
| Certificate of Analysis | Dec 13, 2023 | A412394 | |
| Certificate of Analysis | Dec 13, 2023 | A412394 | |
| Certificate of Analysis | Dec 13, 2023 | A412394 |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 413.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 413.194 Da |
| Monoisotopic Mass | 413.194 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 376.000 |
| 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 |