≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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=CC2=C(CCCCN2)C=C1.Cl |
|---|---|
| IUPAC Name | 8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride |
| InChIKey | KOAFDAMJTMINMX-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO.ClH/c1-13-10-6-5-9-4-2-3-7-12-11(9)8-10;/h5-6,8,12H,2-4,7H2,1H3;1H |
| Isomeric SMILES | COC1=CC2=C(CCCCN2)C=C1.Cl |
| Alternate CAS | 17422-43-4,17537-86-9 |
| PubChem CID | 71432358 |
| Molecular Weight | 213.7 |
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 |
| Class | Benzazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzazepines |
| Alternative Parents | Anisoles Secondary alkylarylamines Azepines Aralkylamines Alkyl aryl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzazepine - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Secondary amine - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). |
| External Descriptors | Not available |
| Molecular Weight | 213.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 213.092 Da |
| Monoisotopic Mass | 213.092 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 | 2 |
