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Molecule
N-Formylmorpholine
CAS: 4394-85-8 · C5H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4394-85-8
- Molecular Formula
- C5H9NO2
- Molecular Mass
- 115.13 g/mol
Identifiers
CAS Registry Number
4394-85-8
SMILES
O=CN1CCOCC1
InChI Key
LCEDQNDDFOCWGG-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
Names and Synonyms
- N-Formylmorpholine Synonym
- 4-Morpholinecarboxaldehyde Synonym
- Morpholine, 4-formyl- Synonym
- 4-Formylmorpholine Synonym
- N-Formylmorpholine Synonym
- 1-Formylmorpholine Synonym
- N-Morpholinecarboxaldehyde Synonym
- NSC 14833 Synonym
- Morpholine-4-carboxaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.13 g/mol | CAS Common Chemistry |
| 115.132 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.145 g/cm3 @ 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Formylmorpholine | CAS Common Chemistry |
| Boiling Point | 239 °C | CAS Common Chemistry |
| Canonical SMILES | O=CN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LCEDQNDDFOCWGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 21 °C | CAS Common Chemistry |
| Name | N-Formylmorpholine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | -0.5250000000000001 | RDKit |
| -0.525 | RDKit | |
| Molar Refractivity | 28.45599999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 115.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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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Quick conversion
MW = 115.13 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO2.
