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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 Mass:
115.18 g/mol
Names and Synonyms:
Ethylmorpholine
Morpholine, 4-ethyl-
4-Ethylmorpholine
N-Ethylmorpholine
Ethylmorpholine
NEM
Kaolizer 22
Jeffcat NEM
NSC 6110
Dabco NEM
Toyocat NEM
KL 22
Identifiers:
SMILES:
CCN1CCOCC1
InChI:
InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
Key Properties
Boiling Point
138-139 °C @ Press: 763 Torr
CAS Common Chemistry
Melting Point
-62.78 °C
CAS Common Chemistry
Density
0.90 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.176 g/mol | RDKit | |
| 115.099714036 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8996 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 138-139 °C @ Press: 763 Torr | 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 |
| LogP | 0.3385 | RDKit |
| Molar Refractivity | 32.932999999999986 | RDKit |
