≥98% 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.
| Canonical Smiles | COC1=CC=C(C=C1)NCC2=NN=C3N2CCCCC3 |
|---|---|
| IUPAC Name | 4-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline |
| InChIKey | AWKXJCLYDTZUDN-UHFFFAOYSA-N |
| INCHI | 1S/C15H20N4O/c1-20-13-8-6-12(7-9-13)16-11-15-18-17-14-5-3-2-4-10-19(14)15/h6-9,16H,2-5,10-11H2,1H3 |
| Molecular Weight | 272.350 |
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 | Benzenoids |
| Class | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Methoxyanilines Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Azepines Alkyl aryl ethers Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Azepine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 272.350 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 272.164 Da |
| Monoisotopic Mass | 272.164 Da |
| Topological Polar Surface Area | 52.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| 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 |
![4-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline - ≥98% , CAS No.397291-55-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)