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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indole , CAS No.7546-78-3
Synonyms
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole | Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro- | DTXSID60274826 | NGUNYFTXLWTSNC-UHFFFAOYSA-N | BDBM50130072 | AKOS016353066 | EN300-748930 | 1,2,3,4,5,6-Hexahydro-azepino[4,5-b]indole | 1H,2H,3H,4H,5H,6H-AZEPINO[
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
1, 2, 3, 4, 5, 6-hexahydroazepino[4, 5-b]indole | Azepino[4, 5-b]indole, 1, 2, 3, 4, 5, 6-hexahydro- | DTXSID60274826 | NGUNYFTXLWTSNC-UHFFFAOYSA-N | BDBM50130072 | AKOS016353066 | EN300-748930 | 1, 2, 3, 4, 5, 6-Hexahydro-azepino[4, 5-b]indole | 1H, 2H, 3H, 4H, 5H, 6H-AZEPINO[
Product Properties Names and Identifiers Canonical Smiles C1CNCCC2=C1C3=CC=CC=C3N2 IUPAC Name 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole InChIKey NGUNYFTXLWTSNC-UHFFFAOYSA-N INCHI 1S/C12H14N2/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13-14H,5-8H2 Isomeric SMILES C1CNCCC2=C1C3=CC=CC=C3N2 PubChem CID 27557 Molecular Weight 186.25
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 Pyrroloazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrroloazepines Alternative Parents 3-alkylindoles Azepines Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 3-alkylindole - Pyrroloazepine - Indole - Indole or derivatives - Azepine - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Azepine is a 7-membered ring consisting of six carbon and one nitrogen atom. 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 Molecular Weight 186.250 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 186.116 Da Monoisotopic Mass 186.116 Da Topological Polar Surface Area 27.800 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 204.000 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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