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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine , CAS No.1065110-62-4
Synonyms
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine | PF-3246799 | PF-03246799 | CZWQBSKNHUVZLI-UHFFFAOYSA-N | BDBM50342538 | AKOS027383987 | NCGC00485021-01 | 2-benzyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine | 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-
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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
2-benzyl-6, 7, 8, 9-tetrahydro-5H-pyrimido[4, 5-d]azepine | PF-3246799 | PF-03246799 | CZWQBSKNHUVZLI-UHFFFAOYSA-N | BDBM50342538 | AKOS027383987 | NCGC00485021-01 | 2-benzyl-5H, 6H, 7H, 8H, 9H-pyrimido[4, 5-d]azepine | 2-benzyl-6, 7, 8, 9-tetrahydro-5H-pyrimido[5, 4-
Product Properties Names and Identifiers Canonical Smiles C1CNCCC2=NC(=NC=C21)CC3=CC=CC=C3 IUPAC Name 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine InChIKey CZWQBSKNHUVZLI-UHFFFAOYSA-N INCHI 1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2 Isomeric SMILES C1CNCCC2=NC(=NC=C21)CC3=CC=CC=C3 PubChem CID 25070582 Molecular Weight 239.32
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 Azepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Azepines Alternative Parents Aralkylamines Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Aralkylamine - Azepine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member 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 239.320 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 239.142 Da Monoisotopic Mass 239.142 Da Topological Polar Surface Area 37.800 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 250.000 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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