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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one - ≥97% , CAS No.5755-07-7
Synonyms
2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one | 5H-1,4-Benzodiazepin-5-one,1,2,3,4-tetrahydro- | STK866161 | FT-0705390 | Oprea1_427458 | PD120561 | NKSJNEHGWDZZQF-UHFFFAOYSA- | SY079183 | 1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one | DTXSID20279211 | NSC1
Storage
Store at 2-8°C,Protected from light
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light Ships Wet ice 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.
Specifications Synonyms
2, 3, 4, 5-tetrahydro-1H-1, 5-benzodiazepin-2-one | 5H-1, 4-Benzodiazepin-5-one, 1, 2, 3, 4-tetrahydro- | STK866161 | FT-0705390 | Oprea1_427458 | PD120561 | NKSJNEHGWDZZQF-UHFFFAOYSA- | SY079183 | 1, 2, 3, 5-tetrahydro-1, 5-benzodiazepin-4-one | DTXSID20279211 | NSC1
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1CNC2=CC=CC=C2NC1=O IUPAC Name 1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one InChIKey XTDMZEZDXXJVMK-UHFFFAOYSA-N INCHI 1S/C9H10N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4,10H,5-6H2,(H,11,12) Isomeric SMILES C1CNC2=CC=CC=C2NC1=O Alternate CAS 5755-07-7 PubChem CID 223771 NSC Number 11707 Molecular Weight 162.19
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 Not available Intermediate Tree Nodes Not available Direct Parent Benzodiazepines Alternative Parents Beta amino acids and derivatives Secondary alkylarylamines 1,4-diazepines Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzodiazepine - Beta amino acid or derivatives - Para-diazepine - Secondary aliphatic/aromatic amine - Benzenoid - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description 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 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 Sensitivity light sensitive；Moisture sensitive Molecular Weight 162.190 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 162.079 Da Monoisotopic Mass 162.079 Da Topological Polar Surface Area 41.100 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 181.000 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 1
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