for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
室温 Ships ノーマル 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.
| カノニカル・スマイル | C1C(NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CN |
|---|---|
| IUPAC Name | [7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine |
| InChIKey | LSQOUBKWMBDIPL-UHFFFAOYSA-N |
| INCHI | 1S/C16H15ClFN3/c17-10-5-6-15-13(7-10)16(20-9-11(8-19)21-15)12-3-1-2-4-14(12)18/h1-7,11,21H,8-9,19H2 |
| 異性体SMILES | C1C(NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CN |
| 分子量 | 522.58 |
| Reaxy-Rn | 758461 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=758461&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 |
| 分類 | Benzodiazepines |
| Subclass | 1,4-benzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-benzodiazepines |
| Alternative Parents | Secondary alkylarylamines Fluorobenzenes Aryl fluorides Aryl chlorides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,4-benzodiazepine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketimine - Azacycle - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Imine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. |
| External Descriptors | Not available |
| 溶解度 | Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100 |
|---|---|
| 分子量 | 303.760 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 303.094 Da |
| Monoisotopic Mass | 303.094 Da |
| Topological Polar Surface Area | 50.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 390.000 |
| 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 |
