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224,000+ 研究の概要 · Triple ISO certified · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Benalfocin , CAS No.73943-10-9
Synonyms
benalfocin | Skf 86466 | SK&F-86466 | 6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine | SK&F 86466 | 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine | YCN2U5UGIQ | Lopac-S-1563 | SKF-86466 | 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine |
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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 同義語
benalfocin | Skf 86466 | SK&F-86466 | 6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine | SK&F 86466 | 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine | YCN2U5UGIQ | Lopac-S-1563 | SKF-86466 | 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine |
製品の性質 名前と識別子 カノニカル・スマイル
CN1CCC2=C(CC1)C(=CC=C2)Cl
IUPAC Name
6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
InChIKey
RSRUDTPYRBLHEO-UHFFFAOYSA-N
INCHI
1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
異性体SMILES
CN1CCC2=C(CC1)C(=CC=C2)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5734797&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 分類 Benzazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzazepines Alternative Parents Azepines Aralkylamines Benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzazepine - Azepine - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound 説明 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 benzazepine 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.
3 D構造 関連ターゲット(人間) 関連ターゲット(非人間) 作用メカニズム 証明書(CoA、COO、BSE/TSEと分析図) 化学的性質と物理的性質 分子量 195.690 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 195.081 Da Monoisotopic Mass 195.081 Da Topological Polar Surface Area 3.200 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 171.000 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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