2-Ethyl-1-(4-morpholinyl)-1-hexanone
Basic information
- CAS
79868-48-7- Standard SMILES
CCCCC(CC)C(=O)N1CCOCC1- InChIKey
WJNJRMDHLZDCJH-UHFFFAOYSA-N- Molecular formula
- C12H23NO2
- Average molar mass
- 213.32 g/mol
- Monoisotopic mass
- 213.17287898
Names & identifiers
- Preferred name
- 2-Ethyl-1-(4-morpholinyl)-1-hexanone
- IUPAC
- 2-ethyl-1-morpholin-4-ylhexan-1-one
- English name
- 2-ethyl-1-morpholin-4-yl-hexan-1-one
- Molecular formula
- C12H23NO2
- Molecular weight
- 213.31652
Names & synonyms
Morpholine, 4-(2-ethylhexanoyl)-79868-48-7J8S0TXY46HNSC-1623192-Ethyl-1-(4-morpholinyl)-1-hexanoneRefChem:10630124-(2-Ethylhexanoyl)morpholine2-ethyl-1-(morpholin-4-yl)hexan-1-one2-ethyl-1-morpholin-4-ylhexan-1-oneN-(Ethylbutylacetyl)morpholineNSC 162319BRN 0144074
Show more names
2-ethyl-1-morpholin-4-yl-hexan-1-one
1-hexanone, 2-ethyl-1-(4-morpholinyl)-NSC162319UNII-J8S0TXY46HSCHEMBL22264520STK416718AKOS003280277AKOS022165214ST50922749
Database identifiers
- CAS
79868-48-7- PubChem CID
- 98991
- UNII
- J8S0TXY46H
- Nikkaji
- J75.082D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- FDA UNII
- 8 S0TXY46H · J8S0TXY46H
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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