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4-(2,3-Epoxypropyl)Morpholine
CAS: 6270-19-5 | C7H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6270-19-5
Molecular Formula:
C7H13NO2
Molecular Weight:
143.18599999999998 g/mol
Names and Synonyms:
4-(2,3-Epoxypropyl)Morpholine
1-Morpholino-2,3-epoxypropane
Morpholine, 4-(2-oxiranylmethyl)-
Morpholine, 4-(2,3-epoxypropyl)-
Morpholine, 4-(oxiranylmethyl)-
4-(2-Oxiranylmethyl)morpholine
Morpholinopropylene oxide
N-(2,3-Epoxypropyl)morpholine
3-Morpholino-1,2-epoxypropane
4-(2,3-Epoxypropyl)morpholine
4-Glycidylmorpholine
4-(Oxiranylmethyl)morpholine
(Morpholinomethyl)oxirane
2-(4-Morpholinylmethyl)oxirane
NSC 34004
4-[(Oxiran-2-yl)methyl]morpholine
Identifiers:
SMILES:
C1CN(CC2CO2)CCO1
InChI:
InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 143.19 g/mol | Legacy Database |
| density | 1.07 g/cm³ | Legacy Database |
| cas-boiling-point | 95-97 °C @ Press: 12 Torr None | Legacy Database |
| cas-canonical-smile | O1CCN(CC1)CC2OC2 None | Legacy Database |
| cas-density | 1.067 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=KKWQCCPQBCHJBZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-(2,3-Epoxypropyl)morpholine None | Legacy Database |
| LogP | -0.2826000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.18599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 25.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.999 | RDKit |
