3-(Aminomethyl)-3,5,5-trimethylcyclohexanone
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-one
Also Known As: 3-(aminomethyl)-3,5,5-trimethylcyclohexanone|3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-one|Cyclohexanone,3-(aminomethyl)-3,5,5-trimethyl-|3,3,5-Trimethyl-5-(aminomethyl)cyclohexanone
CAS: 6972-53-8
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.14667 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.14667 |
| Monoisotopic Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 6972-53-8 |
|---|---|
| SMILES | CC1(CC(=O)CC(C1)(C)CN)C |
| InChIKey | YNDAXWZSPDYMLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Catalysts (2 patents)
Organic Building Blocks (3 patents)
Product Overview
3-(Aminomethyl)-3,5,5-trimethylcyclohexanone (CAS 6972-53-8), with molecular formula C10H19NO and molecular weight 169.14667 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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