Determine the necessary mass, volume, or concentration for preparing a solution.
(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine , CAS No.435345-27-0
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
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
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | CC(C)CNCC1OCC2=CC=CC=C2CO1 |
|---|---|
| IUPAC Name | N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-methylpropan-1-amine |
| InChIKey | ZEKYUNSJZVNFLX-UHFFFAOYSA-N |
| INCHI | 1S/C14H21NO2/c1-11(2)7-15-8-14-16-9-12-5-3-4-6-13(12)10-17-14/h3-6,11,14-15H,7-10H2,1-2H3 |
| Isomeric SMILES | CC(C)CNCC1OCC2=CC=CC=C2CO1 |
| PubChem CID | 748680 |
| Molecular Weight | 235.33 |
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 Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenoids |
| Alternative Parents | Oxacyclic compounds Dialkylamines Acetals Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenoid - Oxacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 235.320 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 235.157 Da |
| Monoisotopic Mass | 235.157 Da |
| Topological Polar Surface Area | 30.500 Ų |
| Heavy Atom Count | 17 |
| 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 |
Solution Calculators
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