≥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 | CC(C)(C)OC(=O)NCCCCCN(CCC1=CC=CC=C1)C(=O)N2C=C(N=N2)C3=CC=C(C=C3)OC(F)(F)F |
|---|---|
| IUPAC Name | tert-butyl N-[5-[2-phenylethyl-[4-[4-(trifluoromethoxy)phenyl]triazole-1-carbonyl]amino]pentyl]carbamate |
| InChIKey | NUWWTGPNHRKNPN-UHFFFAOYSA-N |
| INCHI | 1S/C28H34F3N5O4/c1-27(2,3)40-25(37)32-17-8-5-9-18-35(19-16-21-10-6-4-7-11-21)26(38)36-20-24(33-34-36)22-12-14-23(15-13-22)39-28(29,30)31/h4,6-7,10-15,20H,5,8-9,16-19H2,1-3H3,(H,32,37) |
| Molecular Weight | 561.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,3-triazoles |
| Alternative Parents | Phenoxy compounds Phenol ethers Heteroaromatic compounds Carbamate esters Trihalomethanes Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 561.600 g/mol |
|---|---|
| XLogP3 | 6.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Exact Mass | 561.256 Da |
| Monoisotopic Mass | 561.256 Da |
| Topological Polar Surface Area | 98.600 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 781.000 |
| 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 | 1 |
