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Molecule
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
Identifiers
CAS Registry Number
6270-19-5
SMILES
C1CN(CC2CO2)CCO1
InChI Key
KKWQCCPQBCHJBZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2
Names and Synonyms
- 4-(2,3-Epoxypropyl)Morpholine Synonym
- 1-Morpholino-2,3-epoxypropane Synonym
- Morpholine, 4-(2-oxiranylmethyl)- Synonym
- Morpholine, 4-(2,3-epoxypropyl)- Synonym
- Morpholine, 4-(oxiranylmethyl)- Synonym
- 4-(2-Oxiranylmethyl)morpholine Synonym
- Morpholinopropylene oxide Synonym
- N-(2,3-Epoxypropyl)morpholine Synonym
- 3-Morpholino-1,2-epoxypropane Synonym
- 4-(2,3-Epoxypropyl)morpholine Synonym
- 4-Glycidylmorpholine Synonym
- 4-(Oxiranylmethyl)morpholine Synonym
- (Morpholinomethyl)oxirane Synonym
- 2-(4-Morpholinylmethyl)oxirane Synonym
- NSC 34004 Synonym
- 4-[(Oxiran-2-yl)methyl]morpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.186 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.067 g/cm3 @ 20 °C | 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 |
| -0.2826 | RDKit | |
| Molar Refractivity | 36.999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.094628656 g/mol | RDKit |
| Boiling Point | 95-97 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 143.19 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
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