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N-(2-Dimethylaminoethyl)Morpholine
CAS: 4385-05-1 | C8H18N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4385-05-1
Molecular Formula:
C8H18N2O
Molecular Mass:
158.25 g/mol
Names and Synonyms:
N-(2-Dimethylaminoethyl)Morpholine
4-Morpholineethanamine, N,N-dimethyl-
Morpholine, 4-[2-(dimethylamino)ethyl]-
N,N-Dimethyl-4-morpholineethanamine
4-[2-(Dimethylamino)ethyl]morpholine
Kalpur PM
N-(2-Dimethylaminoethyl)morpholine
Dabco XDM
XDM
Toyocat DAEM
Identifiers:
SMILES:
CN(C)CCN1CCOCC1
InChI:
InChI=1S/C8H18N2O/c1-9(2)3-4-10-5-7-11-8-6-10/h3-8H2,1-2H3
Key Properties
Boiling Point
93-94 °C @ Press: 20 Torr
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 | 158.25 g/mol | CAS Common Chemistry |
| 158.24499999999998 g/mol | RDKit | |
| 158.141913196 g/mol | RDKit | |
| Boiling Point | 93-94 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CCN(CC1)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2O/c1-9(2)3-4-10-5-7-11-8-6-10/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PMHXGHYANBXRSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2-Dimethylaminoethyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.71 Ų | RDKit |
| LogP | -0.11979999999999968 | RDKit |
| Molar Refractivity | 45.813000000000024 | RDKit |
