Basic information
- CAS
17598-10-6- Standard SMILES
CCCCCC(=O)N1CCOCC1- InChIKey
ADAOWDCHNZQKDI-UHFFFAOYSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.14157885
Names & identifiers
- Preferred name
- 1-(4-Morpholinyl)-1-hexanone
- IUPAC
- 1-morpholin-4-ylhexan-1-one
- English name
- 1-Morpholino-1-hexanone
- Molecular formula
- C10H19NO2
- Molecular weight
- 185.26
Names & synonyms
17598-10-6RefChem:10544531-(4-Morpholinyl)-1-hexanoneMorpholine, 4-(1-oxohexyl)-4-HexanoylmorpholineMorpholine, 4-hexanoyl-4-(1-Oxohexyl)morpholine1-(Morpholino)-1-hexanoneHexanoic acid, morpholideAI3-35668NSC-154031-morpholin-4-ylhexan-1-one
Show more names
1-Morpholino-1-hexanone1-Hexanone, 1-(4-morpholinyl)-
AI3-35668-aGbMorpholide of caproic acidNSC 15403BRN 01297961-(MORPHOLIN-4-YL)HEXAN-1-ONEMC3J7JQ4DH4-27-00-00277 (Beilstein Handbook Reference)SCHEMBL293472
Database identifiers
- CAS
17598-10-6- PubChem CID
- 95058
- DTXSID
DTXSID8075126- UNII
- MC3J7JQ4DH
- Nikkaji
- J41.785H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 108 °C · 108 °C(Press: 1 Torr)
- Density
- 0.996 · 0.996±0.06 g/cm3(Predicted)
- pka
- -0.66 · -0.66±0.20(Predicted)
- FDA UNII
- 3 J7JQ4DH · MC3J7JQ4DH
- EPA Substance Registry System
- 4 · Morpholine, 4-(1-oxohexyl)- (17598-10-6)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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