| Canonical Smiles | CC(C)(C=O)N1CCOCC1 |
|---|---|
| IUPAC Name | 2-methyl-2-morpholin-4-ylpropanal |
| InChIKey | WWILHZQYNPQALT-UHFFFAOYSA-N |
| INCHI | 1S/C8H15NO2/c1-8(2,7-10)9-3-5-11-6-4-9/h7H,3-6H2,1-2H3 |
| Isomeric SMILES | CC(C)(C=O)N1CCOCC1 |
| PubChem CID | 2763987 |
| Molecular Weight | 157.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Morpholines |
| Alternative Parents | Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Morpholine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 157.210 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 157.11 Da |
| Monoisotopic Mass | 157.11 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 139.000 |
| 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 |
