≥99% 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 | CCOC(=O)NC1=C(C(=C(C=C1)NCC2=CC=C(C=C2)C(F)(F)F)F)N |
|---|---|
| IUPAC Name | ethyl N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate |
| InChIKey | MVSMZQRRMPUGHI-UHFFFAOYSA-N |
| INCHI | 1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25) |
| Isomeric SMILES | CCOC(=O)NC1=C(C(=C(C=C1)NCC2=CC=C(C=C2)C(F)(F)F)F)N |
| PubChem CID | 124203920 |
| Molecular Weight | 371.33 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzamines |
| Alternative Parents | Phenylcarbamic acid esters Trifluoromethylbenzenes Aniline and substituted anilines Phenylalkylamines Benzylamines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Carbamate esters Organic carbonic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Alkyl fluorides Organofluorides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylbenzamine - Phenylcarbamic acid ester - Trifluoromethylbenzene - Benzylamine - Phenylalkylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Carbamic acid ester - Carbonic acid derivative - Secondary amine - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. |
| External Descriptors | Not available |
| Molecular Weight | 371.330 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 371.126 Da |
| Monoisotopic Mass | 371.126 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| 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 |
![ethyl N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate - ≥99% CAS No(1919050-87-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/1/E1240099.jpg)