for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(C=C4)C(C)C)C(=O)CC(C3)(C)C |
|---|---|
| IUPAC Name | 2,3,9,9-tetramethyl-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one |
| InChIKey | QJOLLQSZCDTEJS-UHFFFAOYSA-N |
| INCHI | 1S/C26H32N2O/c1-15(2)18-7-9-19(10-8-18)25-24-22(13-26(5,6)14-23(24)29)27-20-11-16(3)17(4)12-21(20)28-25/h7-12,15,25,27-28H,13-14H2,1-6H3 |
| Isomeric SMILES | CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC=C(C=C4)C(C)C)C(=O)CC(C3)(C)C |
| PubChem CID | 3723767 |
| Molecular Weight | 388.55 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Aromatic monoterpenoids Phenylpropanes Cumenes Secondary alkylarylamines Cyclohexenones Aralkylamines 1,4-diazepines Vinylogous amides Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodiazepine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Para-diazepine - Cyclohexenone - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Ketone - Azacycle - Enamine - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms). |
| External Descriptors | Not available |
| Molecular Weight | 388.500 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 388.251 Da |
| Monoisotopic Mass | 388.251 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 656.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![11-(4-isopropylphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one - CAS No(338748-43-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/I/9/I947856.jpg)