Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl |
|---|---|
| IUPAC Name | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride |
| InChIKey | XZZXIYZZBJDEEP-UHFFFAOYSA-N |
| INCHI | 1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H |
| Isómeros SMILES | CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl |
| Peso molecular | 316.87 |
| Reaxy-Rn | 3576963 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3576963&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 |
| Clase | Benzazepines |
| Subclass | Dibenzazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzazepines |
| Alternative Parents | Alkyldiarylamines Azepines Benzenoids Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzazepine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Azepine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. |
| External Descriptors | hydrochloride |
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| Sensibilidad | light sensitive |
|---|---|
| Punto de fusión (°C) | 173 °C |
| Peso molecular | 316.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 316.171 Da |
| Monoisotopic Mass | 316.171 Da |
| Topological Polar Surface Area | 6.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| 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 | 2 |
| 1. Yunfeng Zhou, Mingzhu Yan, Ruile Pan, Zhi Wang, Xue Tao, Chenchen Li, Tianji Xia, Xinmin Liu, Qi Chang. (2020) Radix Polygalae extract exerts antidepressant effects in behavioral despair mice and chronic restraint stress-induced rats probably by promoting autophagy and inhibiting neuroinflammation. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:32861821] [10.1016/j.jep.2020.113317] |
| 2. Zhiling Chen, Huiling Zhou, Jie Song, Ben Xu, Can Wang, Fengchun He, Guisen Zhang, Tao Zhuang. (2026) A new drug-drug co-amorphous system of imipramine and celecoxib with improved solubility and synergistic antinociceptive effects. EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS, [PMID:41519309] [10.1016/j.ejpb.2026.114988] |