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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 | CN(CCC1=CC=C(C=C1)N)CCOC2=CC=C(C=C2)N |
|---|---|
| IUPAC Name | 4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]aniline |
| InChIKey | QZYRUZJJDBUKII-UHFFFAOYSA-N |
| INCHI | 1S/C17H23N3O/c1-20(11-10-14-2-4-15(18)5-3-14)12-13-21-17-8-6-16(19)7-9-17/h2-9H,10-13,18-19H2,1H3 |
| Isomeric SMILES | CN(CCC1=CC=C(C=C1)N)CCOC2=CC=C(C=C2)N |
| PubChem CID | 14645098 |
| Molecular Weight | 285.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenethylamines |
| Alternative Parents | Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Aralkylamines Alkyl aryl ethers Trialkylamines Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenyl ether - Phenethylamine - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Ether - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. |
| External Descriptors | Not available |
| Molecular Weight | 285.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 285.184 Da |
| Monoisotopic Mass | 285.184 Da |
| Topological Polar Surface Area | 64.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| 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 |