≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC2(CCNC2)N(C1)CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 1-benzyl-1,7-diazaspiro[4.4]nonane |
| InChIKey | YIZAKHJUGTXWTG-UHFFFAOYSA-N |
| INCHI | 1S/C14H20N2/c1-2-5-13(6-3-1)11-16-10-4-7-14(16)8-9-15-12-14/h1-3,5-6,15H,4,7-12H2 |
| Isomeric SMILES | C1CC2(CCNC2)N(C1)CC3=CC=CC=C3 |
| Alternate CAS | 128244-01-9 |
| PubChem CID | 15634713 |
| Molecular Weight | 216.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazaspirononane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diazaspirononane derivatives |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines N-alkylpyrrolidines Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diazaspirononane - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diazaspirononane derivatives. These are organic heterocyclic compounds that contain a nine-membered saturated bicyclic moiety, consisting of two aliphatic saturated rings in a spiro-configuration, each of which contain a nitrogen atom. The bicyclic moiety is made up of two nitrogen and seven carbon atoms. |
| External Descriptors | Not available |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 216.320 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 216.163 Da |
| Monoisotopic Mass | 216.163 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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