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Molecule
Morpholine
CAS: 110-91-8 · C4H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-91-8
- Molecular Formula
- C4H9NO
- Molecular Mass
- 87.12 g/mol
Identifiers
CAS Registry Number
110-91-8
SMILES
C1COCCN1
InChI Key
YNAVUWVOSKDBBP-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
Names and Synonyms
- Morpholine Synonym
- Morpholine Synonym
- Diethylene imidoxide Synonym
- Diethylene oximide Synonym
- Diethylenimide oxide Synonym
- p-Isoxazine, tetrahydro- Synonym
- 1-Oxa-4-azacyclohexane Synonym
- 2H-1,4-Oxazine, tetrahydro- Synonym
- 4H-1,4-Oxazine, tetrahydro- Synonym
- Tetrahydro-p-oxazine Synonym
- Tetrahydro-1,4-oxazine Synonym
- Tetrahydro-2H-1,4-oxazine Synonym
- BASF 238 Synonym
- Drewamine Synonym
- NSC 9376 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.12 g/mol | CAS Common Chemistry |
| 87.122 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.0007 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Morpholine | CAS Common Chemistry |
| Canonical SMILES | O1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YNAVUWVOSKDBBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4.9 °C | CAS Common Chemistry |
| Name | Morpholine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| 21.26 Ų | RDKit | |
| LogP | -0.3938000000000001 | RDKit |
| -0.3938 | RDKit | |
| Molar Refractivity | 23.688699999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 87.068413908 g/mol | RDKit |
| Boiling Point | 128.9 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 87.12 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO.
