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· · COA & SDS available for every product · Same-day shipping on in-stock items (R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium , CAS No.R669101
Synonyms
(R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium | Biomol-NT_000064 | Lopac0_000216 | BPBio1_001353 | CHEBI:93064 | BDBM50004921 | CCG-204311 | SDCCGSBI-0050204.P002 | NCGC00162096-01 | NCGC00162096-02 | NCGC00162096-03 |
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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
(R)-3-Allyl-6-bromo-7, 8-dihydroxy-1-phenyl-2, 3, 4, 5-tetrahydro-1H-benzo[d]azepinium | Biomol-NT_000064 | Lopac0_000216 | BPBio1_001353 | CHEBI:93064 | BDBM50004921 | CCG-204311 | SDCCGSBI-0050204.P002 | NCGC00162096-01 | NCGC00162096-02 | NCGC00162096-03 |
Product Properties Names and Identifiers Canonical Smiles C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Br IUPAC Name (5R)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol InChIKey KKZGFVAZUKHFAC-MRXNPFEDSA-N INCHI 1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1 Isomeric SMILES C=CCN1CCC2=C(C(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)O)Br Molecular Weight 374.3 Reaxy-Rn 5855619 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5855619&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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzazepines Alternative Parents O-bromophenols M-bromophenols Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl bromides Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzazepine - 3-bromophenol - 2-bromophenol - Azepine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 374.300 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 373.068 Da Monoisotopic Mass 373.068 Da Topological Polar Surface Area 43.700 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 399.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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