≥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.
| Sonrisas canónicas | CCN(CC)C(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2NC=C3 |
|---|---|
| IUPAC Name | [4-(1H-indol-7-ylcarbamoyl)phenyl] N,N-diethylcarbamate |
| InChIKey | WCGIKJOMEYPSIP-UHFFFAOYSA-N |
| INCHI | 1S/C20H21N3O3/c1-3-23(4-2)20(25)26-16-10-8-15(9-11-16)19(24)22-17-7-5-6-14-12-13-21-18(14)17/h5-13,21H,3-4H2,1-2H3,(H,22,24) |
| Isómeros SMILES | CCN(CC)C(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2NC=C3 |
| PubChem CID | 46862257 |
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 | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Benzamides Phenoxy compounds Benzoyl derivatives Pyrroles Heteroaromatic compounds Carbamate esters Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzamide - Benzoic acid or derivatives - Indole - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
| Peso molecular | 351.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 351.158 Da |
| Monoisotopic Mass | 351.158 Da |
| Topological Polar Surface Area | 74.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 487.000 |
| 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 |
