| Canonical Smiles | C1CC2(CC1N)OCCO2 |
|---|---|
| IUPAC Name | 1,4-dioxaspiro[4.4]nonan-8-amine |
| InChIKey | FTUCRLHGAZBPBK-UHFFFAOYSA-N |
| INCHI | 1S/C7H13NO2/c8-6-1-2-7(5-6)9-3-4-10-7/h6H,1-5,8H2 |
| Molecular Weight | 143.180 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | 1,3-dioxolanes Oxacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
| External Descriptors | Not available |
| Molecular Weight | 143.180 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 143.095 Da |
| Monoisotopic Mass | 143.095 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
![1,4-Dioxaspiro[4.4]nonan-7-amine - ≥98% CAS No(1322805-04-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D972193.jpg)