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Methyl 3-Morpholinopropionate
CAS: 33611-43-7 | C8H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33611-43-7
Molecular Formula:
C8H15NO3
Molecular Mass:
173.21 g/mol
Names and Synonyms:
Methyl 3-Morpholinopropionate
4-Morpholinepropanoic acid, methyl ester
4-Morpholinepropionic acid, methyl ester
Methyl 3-morpholinopropionate
NSC 408953
Methyl 3-morpholinopropanoate
4-(2-(Methoxycarbonyl)ethyl)morpholine
Methyl 3-(4-morpholinyl)propionate
Methyl 4-morpholinepropanoate
Methyl β-morphonyl-propionate
3-Morpholin-4-yl-propionic acid methyl ester
Identifiers:
SMILES:
COC(=O)CCN1CCOCC1
InChI:
InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3
Key Properties
Boiling Point
82 °C @ Press: 2 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 |
|---|
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 | 173.21 g/mol | CAS Common Chemistry |
| 173.212 g/mol | RDKit | |
| 173.10519334 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0711 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 82 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)CCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YMSLLIGKMYXCPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 3-morpholinopropionate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.769999999999996 Ų | RDKit |
| LogP | -0.1183000000000003 | RDKit |
| Molar Refractivity | 43.89200000000002 | RDKit |
