≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC1=CC=C(C=C1)CN2C3=C(CCCC3)C(=C2N)C#N |
|---|---|
| IUPAC Name | 2-amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole-3-carbonitrile |
| InChIKey | HMITZZIOYJRWFM-UHFFFAOYSA-N |
| INCHI | 1S/C17H19N3O/c1-21-13-8-6-12(7-9-13)11-20-16-5-3-2-4-14(16)15(10-18)17(20)19/h6-9H,2-5,11,19H2,1H3 |
| Isómeros SMILES | COC1=CC=C(C=C1)CN2C3=C(CCCC3)C(=C2N)C#N |
| PubChem CID | 2764069 |
| Peso molecular | 281.36 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles and derivatives |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Nitrile - Carbonitrile - Ether - Azacycle - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 130-132° |
|---|---|
| Peso molecular | 281.350 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 281.153 Da |
| Monoisotopic Mass | 281.153 Da |
| Topological Polar Surface Area | 64.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| 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 |
