≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1=CC=C(C(=C1)CNCCC2=CNC3=CC=CC=C32)Cl |
|---|---|
| IUPAC Name | N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine |
| InChIKey | ZSEPJTGBFYRCMJ-UHFFFAOYSA-N |
| INCHI | 1S/C17H17ClN2/c18-16-7-3-1-5-14(16)11-19-10-9-13-12-20-17-8-4-2-6-15(13)17/h1-8,12,19-20H,9-11H2 |
| Isómeros SMILES | C1=CC=C(C(=C1)CNCCC2=CNC3=CC=CC=C32)Cl |
| PubChem CID | 472130 |
| Peso molecular | 284.79 |
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 | Tryptamines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tryptamines and derivatives |
| Alternative Parents | 3-alkylindoles Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tryptamine - 3-alkylindole - Indole - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Substituted pyrrole - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Secondary amine - Azacycle - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Peso molecular | 284.800 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 284.108 Da |
| Monoisotopic Mass | 284.108 Da |
| Topological Polar Surface Area | 27.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 297.000 |
| 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 |
