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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl |
|---|---|
| IUPAC Name | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride |
| InChIKey | XAEWZDYWZHIUCT-UHFFFAOYSA-N |
| INCHI | 1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H |
| Isomeric SMILES | CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl |
| WGK Germany | 1 |
| Alternate CAS | 50-47-5 |
| Molecular Weight | 302.84 |
| Reaxy-Rn | 4166006 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4166006&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 |
| Class | Benzazepines |
| Subclass | Dibenzazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzazepines |
| Alternative Parents | Alkyldiarylamines Azepines Benzenoids Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzazepine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Azepine - Benzenoid - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | 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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| Flash Point(°F) | 48.2 °F |
|---|---|
| Flash Point(°C) | 9 °C |
| Molecular Weight | 302.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 302.155 Da |
| Monoisotopic Mass | 302.155 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 267.000 |
| 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. Zhang Jia-qi, Li Shu-yi, Yin Cui, Ji Ying, Zhang Xiang, Liu Dan-yang, Yang Hang, Niu Yong, Cui Gui-yun, Zhou Chun-yi, Xiao Cheng. (2025) Dysfunction of subthalamic dopaminergic circuitry contributes to anxiety- and depression-like behaviors in 6-OHDA lesion-induced hemiparkinsonian mice. ACTA PHARMACOLOGICA SINICA, [PMID:40329003] [10.1038/s41401-025-01570-2] |