10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs 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.
Shipped at 4°C. Store at -20°C. Store In the Dark. Store under desiccating conditions.
| Canonical Smiles | C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42 |
|---|---|
| IUPAC Name | 6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine |
| InChIKey | JCBYXNSOLUVGTF-UHFFFAOYSA-N |
| INCHI | 1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2 |
| Isomeric SMILES | C1CN(CCN1)C2=NC3=CC=CC=C3NC4=CC=CC=C42 |
| Molecular Weight | 278.35 |
| Reaxy-Rn | 11429361 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11429361&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 | Benzodiazepines |
| Subclass | Dibenzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzodiazepines |
| Alternative Parents | 1,4-benzodiazepines Primary aromatic amines Piperazines Imidolactams Benzenoids Propargyl-type 1,3-dipolar organic compounds Dialkylamines Carboxamidines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzodiazepine - 1,4-benzodiazepine - 1,4-diazinane - Piperazine - Imidolactam - Primary aromatic amine - Benzenoid - Amidine - Carboxylic acid amidine - Secondary aliphatic amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring. |
| External Descriptors | Not available |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 278.350 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 278.153 Da |
| Monoisotopic Mass | 278.153 Da |
| Topological Polar Surface Area | 39.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 388.000 |
| 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 |
