Determine the necessary mass, volume, or concentration for preparing a solution.
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
| Sonrisas canónicas | CC1CCNCCC1=O |
|---|---|
| IUPAC Name | 5-methylazepan-4-one |
| InChIKey | IEUKKRQMRVLHEH-UHFFFAOYSA-N |
| INCHI | 1S/C7H13NO/c1-6-2-4-8-5-3-7(6)9/h6,8H,2-5H2,1H3 |
| Peso molecular | 127.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azepanes |
| Alternative Parents | Cyclic ketones Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Azepane - Cyclic ketone - Ketone - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. |
| External Descriptors | Not available |
| Peso molecular | 127.180 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 127.1 Da |
| Monoisotopic Mass | 127.1 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 111.000 |
| 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 |