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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.
| Sonrisas canónicas | CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CSC=C4)C(=O)CC(C3)(C)C |
|---|---|
| IUPAC Name | 2,3,9,9-tetramethyl-6-thiophen-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one |
| InChIKey | AMXSIBYJARBMKM-UHFFFAOYSA-N |
| INCHI | 1S/C21H24N2OS/c1-12-7-15-16(8-13(12)2)23-20(14-5-6-25-11-14)19-17(22-15)9-21(3,4)10-18(19)24/h5-8,11,20,22-23H,9-10H2,1-4H3 |
| Peso molecular | 352.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Secondary alkylarylamines Cyclohexenones Aralkylamines 1,4-diazepines Benzenoids Vinylogous amides Thiophenes Heteroaromatic compounds Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodiazepine - Para-diazepine - Secondary aliphatic/aromatic amine - Cyclohexenone - Aralkylamine - Benzenoid - Thiophene - Vinylogous amide - Heteroaromatic compound - Ketone - Secondary amine - Enamine - Azacycle - Amine - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 352.500 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 352.161 Da |
| Monoisotopic Mass | 352.161 Da |
| Topological Polar Surface Area | 69.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 584.000 |
| 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 |
![3,3,7,8-tetramethyl-11-(3-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one , CAS No.330958-06-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)