Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97% 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.
| Pubchem Sid | 488181112 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181112 |
| Canonical Smiles | C1CC2=CC=CC=C2NC3=CC=CC=C31 |
| IUPAC Name | 6,11-dihydro-5H-benzo[b][1]benzazepine |
| InChIKey | ZSMRRZONCYIFNB-UHFFFAOYSA-N |
| INCHI | 1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2 |
| Isomeric SMILES | C1CC2=CC=CC=C2NC3=CC=CC=C31 |
| WGK Germany | 3 |
| RTECS | HN8950000 |
| Molecular Weight | 195.26 |
| Beilstein | 152732 |
| Reaxy-Rn | 152732 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152732&ln= |
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 | Dibenzazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzazepines |
| Alternative Parents | Azepines Benzenoids Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzazepine - Azepine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 14, 2024 | I120149 | |
| Certificate of Analysis | Nov 25, 2023 | I120149 | |
| Certificate of Analysis | Nov 25, 2023 | I120149 | |
| Certificate of Analysis | Nov 25, 2023 | I120149 | |
| Certificate of Analysis | Nov 25, 2023 | I120149 | |
| Certificate of Analysis | Nov 25, 2023 | I120149 | |
| Certificate of Analysis | Nov 07, 2022 | I120149 | |
| Certificate of Analysis | Nov 07, 2022 | I120149 | |
| Certificate of Analysis | Nov 07, 2022 | I120149 | |
| Certificate of Analysis | Nov 07, 2022 | I120149 | |
| Certificate of Analysis | Nov 07, 2022 | I120149 |
| Melt Point(°C) | 107°C |
|---|---|
| Molecular Weight | 195.260 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.105 Da |
| Monoisotopic Mass | 195.105 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 |