≥98% 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.
| Canonical Smiles | CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)Cl |
|---|---|
| IUPAC Name | 2-chloro-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
| InChIKey | DJWRRNUDJBTKNW-UHFFFAOYSA-N |
| INCHI | 1S/C12H9ClN4O/c1-17-9-5-3-2-4-7(9)11(18)15-8-6-14-12(13)16-10(8)17/h2-6H,1H3,(H,15,18) |
| Molecular Weight | 260.68 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines - Tertiary alkylarylamines |
| Direct Parent | Alkyldiarylamines |
| Alternative Parents | Pyrimidodiazepines 1,4-benzodiazepines 1,4-diazepines 2-halopyrimidines Imidolactams Aryl chlorides Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyldiarylamine - Benzodiazepine - Pyrimidodiazepine - 1,4-benzodiazepine - 2-halopyrimidine - Para-diazepine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group. |
| External Descriptors | Not available |
| Molecular Weight | 260.680 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 260.046 Da |
| Monoisotopic Mass | 260.046 Da |
| Topological Polar Surface Area | 58.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 340.000 |
| 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 |
