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N-Propargylmorpholine
CAS: 5799-76-8 | C7H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5799-76-8
Molecular Formula:
C7H11NO
Molecular Weight:
125.17099999999999 g/mol
Names and Synonyms:
N-Propargylmorpholine
4-(2-Propynyl)morpholine
4-Propargylmorpholine
3-(N-Morpholinyl)propyne
N-(2-Propynyl)morpholine
4-(2-Propyn-1-yl)morpholine
Morpholine, 4-(2-propynyl)-
Morpholine, 4-(2-propyn-1-yl)-
1-Morpholino-2-propyne
3-(4-Morpholinyl)-1-propyne
3-Morpholino-1-propyne
N-Propargylmorpholine
Identifiers:
SMILES:
C#CCN1CCOCC1
InChI:
InChI=1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2
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 | 125.17099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 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 | -0.04820000000000002 | RDKit |
| molecular_mass | 125.17 g/mol | Legacy Database |
| density | 1.00 g/cm³ | Legacy Database |
| cas-boiling-point | 64 °C @ Press: 10 Torr None | Legacy Database |
| cas-canonical-smile | C#CCN1CCOCC1 None | Legacy Database |
| cas-density | 1.0009 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OKDZHAQIKCVKFE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-Propargylmorpholine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.092 | RDKit |
