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Basic Description
| Synonyms | 1,3,4,5-tetrahydro-[1]benzazepin-2-one | 1,3,4,5-Tetrahydro-1- benzazepin-2-one | 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one | 2,3,4,5-terahydro-1H-1-benzazepin-2-one | Benzo[b]azepin-2-one, 1,3,4,5-tetrahydro- | HMS2601D15 | 2,3,4,5-tetrahydro-1H-[1]-benza |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C,Argon charged,Desiccated |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Benzazepines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzazepines |
| Alternative Parents | Azepines Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzazepine - Azepine - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - 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 |
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Associated Targets(Human)
GNAS
Tbio
Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
APEX1
Tchem
DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Mapt
Microtubule-associated protein tau (6 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504758097 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758097 |
| IUPAC Name | 1,3,4,5-tetrahydro-1-benzazepin-2-one |
| INCHI | InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12) |
| InChIKey | HRVRAYIYXRVAPR-UHFFFAOYSA-N |
| Smiles | C1CC2=CC=CC=C2NC(=O)C1 |
| Isomeric SMILES | C1CC2=CC=CC=C2NC(=O)C1 |
| Alternate CAS | 4424-80-0 |
| NSC Number | 65882 |
| Molecular Weight | 161.2 |
| Reaxy-Rn | 137258 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=137258&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2327462 |
Certificate of Analysis | Oct 08, 2023 | D589134 |
| J2327463 |
Certificate of Analysis | Oct 08, 2023 | D589134 |
| J2327428 |
Certificate of Analysis | Oct 08, 2023 | D589134 |
| J2327459 |
Certificate of Analysis | Oct 08, 2023 | D589134 |
| J2327461 |
Certificate of Analysis | Oct 08, 2023 | D589134 |
| J2327460 |
Certificate of Analysis | Oct 08, 2023 | D589134 |
Chemical and Physical Properties
| Sensitivity | Air Sensitive |
|---|---|
| Melt Point(°C) | 143℃ |
| Molecular Weight | 161.200 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 161.084 Da |
| Monoisotopic Mass | 161.084 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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 |
Solution Calculators
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