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Ethylmorpholine
CAS: 100-74-3 | C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-74-3
Molecular Formula:
C6H13NO
Molecular Weight:
115.176 g/mol
Names and Synonyms:
Ethylmorpholine
KL 22
N-Ethylmorpholine
NSC 6110
NEM
Ethylmorpholine
4-Ethylmorpholine
Morpholine, 4-ethyl-
Toyocat NEM
Dabco NEM
Jeffcat NEM
Kaolizer 22
Identifiers:
SMILES:
CCN1CCOCC1
InChI:
InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.176 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.099714036 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.47 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3385 | RDKit |
| molecular_mass | 115.18 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 138-139 °C @ Press: 763 Torr None | Legacy Database |
| cas-canonical-smile | O1CCN(CC)CC1 None | Legacy Database |
| cas-density | 0.8996 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HVCNXQOWACZAFN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -62.78 °C None | Legacy Database |
| cas-name | Ethylmorpholine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.932999999999986 | RDKit |
