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1-Cyclohexyl-1,4-diazepane - ≥95% , CAS No.59039-67-7
Disponível para encomenda
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificações e pureza
≥95%
Condições de armazenamento de armazenamento
Room temperature
Pureza
≥95%
Nomes e identificadores
| Sorrisos canónicos | C1CCC(CC1)N2CCCNCC2 |
|---|---|
| IUPAC Name | 1-cyclohexyl-1,4-diazepane |
| InChIKey | YZRJEERFPFFTLP-UHFFFAOYSA-N |
| INCHI | 1S/C11H22N2/c1-2-5-11(6-3-1)13-9-4-7-12-8-10-13/h11-12H,1-10H2 |
| SMILES isoméricas | C1CCC(CC1)N2CCCNCC2 |
| PubChem CID | 12236530 |
| Peso molecular | 182.311 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Classe Diazepanes
- Subclass 1,4-diazepanes
- Classe Diazepanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Diazepanes |
| Subclass | 1,4-diazepanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-diazepanes |
| Alternative Parents | Cyclohexylamines Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Cyclohexylamine - 1,4-diazepane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring. |
| External Descriptors | Not available |
Estrutura 3D
Modelo de Estrutura Química Interativa
Certificados（CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
| Peso molecular | 182.310 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 182.178 Da |
| Monoisotopic Mass | 182.178 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 |
Calculadoras de soluções
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