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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 Mass:
143.19 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
Key Properties
Boiling Point
95-97 °C @ Press: 12 Torr
CAS Common Chemistry
Density
1.07 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 |
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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 | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.094628656 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.067 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 95-97 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CCN(CC1)CC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KKWQCCPQBCHJBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(2,3-Epoxypropyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 25.0 Ų | RDKit |
| LogP | -0.2826000000000002 | RDKit |
| Molar Refractivity | 36.999 | RDKit |