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· · COA & SDS available for every product · Same-day shipping on in-stock items Dibenzepine HCl - ≥99% , CAS No.315-80-0
Synonyms
(E)-2-HEXENAL DIETHYL ACETAL [FHFI] | 10-(2-(dimethylamino)ethyl)-5-methyl-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one hydrochloride | BDBM50020706 | Dibenzepin hydrochloride (JAN/USAN) | NSC169412 | NSC-169412 | Tox21_111784 | 10-(2-(Dimethylamino)ethyl)-5,
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Dibenzepine HCl is a tricyclic antidepressant used in the treatment of depression especially endogenous depression.
Specifications Synonyms
(E)-2-HEXENAL DIETHYL ACETAL [FHFI] | 10-(2-(dimethylamino)ethyl)-5-methyl-5H-dibenzo[b, e][1, 4]diazepin-11(10H)-one hydrochloride | BDBM50020706 | Dibenzepin hydrochloride (JAN/USAN) | NSC169412 | NSC-169412 | Tox21_111784 | 10-(2-(Dimethylamino)ethyl)-5,
Specifications & Purity
≥99%
Product Properties Names and Identifiers Canonical Smiles CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl IUPAC Name 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydrochloride InChIKey RJPZIQRLRMWPRF-UHFFFAOYSA-N INCHI 1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H Isomeric SMILES CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl RTECS HP2625000 Molecular Weight 303.793646 Reaxy-Rn 4054549 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4054549&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzodiazepines Subclass Dibenzodiazepines Intermediate Tree Nodes Not available Direct Parent Dibenzodiazepines Alternative Parents Alkyldiarylamines 1,4-benzodiazepines 1,4-diazepines Benzenoids Vinylogous amides Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Dibenzodiazepine - Alkyldiarylamine - 1,4-benzodiazepine - Tertiary aliphatic/aromatic amine - Para-diazepine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic salt - Organic chloride salt - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in water (25 mg/ml), ethanol, and chloroform. Boil Point(°C) 451.7° C at 760 mmHg (Predicted) Melt Point(°C) 238-241° C Molecular Weight 331.800 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 331.145 Da Monoisotopic Mass 331.145 Da Topological Polar Surface Area 26.800 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 398.000 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
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