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Molecule
Ethylmorpholine
CAS: 100-74-3 · C6H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-74-3
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
100-74-3
SMILES
CCN1CCOCC1
InChI Key
HVCNXQOWACZAFN-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
Names and Synonyms
- Ethylmorpholine Common Name
- Morpholine, 4-ethyl- Synonym
- 4-Ethylmorpholine Synonym
- N-Ethylmorpholine Synonym
- Ethylmorpholine Synonym
- NEM Synonym
- Kaolizer 22 Synonym
- Jeffcat NEM Synonym
- NSC 6110 Synonym
- Dabco NEM Synonym
- Toyocat NEM Synonym
- KL 22 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.176 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8996 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O1CCN(CC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HVCNXQOWACZAFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -62.78 °C | CAS Common Chemistry |
| Name | Ethylmorpholine | 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 | 12.47 Ų | RDKit |
| 12.24 Ų | chempirical lib | |
| LogP | 0.3385 | RDKit |
| Molar Refractivity | 32.932999999999986 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 115.099714036 g/mol | RDKit |
| Boiling Point | 138-139 °C @ 763 Torr | CAS Common Chemistry |
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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MW = 115.18 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
