≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N.Cl.Cl |
|---|---|
| IUPAC Name | 4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline;dihydrochloride |
| InChIKey | NDRITPLSHUPVRR-UHFFFAOYSA-N |
| INCHI | 1S/C17H15N3O2.2ClH/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11;;/h2-5,7-8H,6,9,18H2,1H3;2*1H |
| Isómeros SMILES | CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N.Cl.Cl |
| PubChem CID | 91820611 |
| Peso molecular | 366.24 |
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 |
| Clase | Benzodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Benzodioxoles Aniline and substituted anilines Primary aromatic amines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodiazepine - Benzodioxole - Aniline or substituted anilines - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Acetal - Azacycle - Oxacycle - Organopnictogen compound - Hydrochloride - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 16.49, Max Conc. mM: 50; Solvent:water, Max Conc. mg/mL: 3.3, Max Conc. mM: 10 |
|---|---|
| Peso molecular | 366.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 365.07 Da |
| Monoisotopic Mass | 365.07 Da |
| Topological Polar Surface Area | 69.200 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 482.000 |
| 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 | 3 |
