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4-(2-Chloroethyl)Morpholine
CAS: 3240-94-6 | C6H12ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3240-94-6
Molecular Formula:
C6H12ClNO
Molecular Mass:
149.62 g/mol
Names and Synonyms:
4-(2-Chloroethyl)Morpholine
Morpholine, 4-(2-chloroethyl)-
4-(2-Chloroethyl)morpholine
N-(2-Chloroethyl)morpholine
Morpholinoethyl chloride
β-Morpholinoethyl chloride
2-Morpholinoethyl chloride
2-Morpholino-1-chloroethane
β-Chloroethylmorpholine
1-Chloro-2-morpholinoethane
2-(4-Morpholinyl)ethyl chloride
1-Morpholino-2-chloroethane
N-(Chloroethyl)morpholine
Identifiers:
SMILES:
ClCCN1CCOCC1
InChI:
InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2
Key Properties
Boiling Point
93-94 °C @ Press: 12 Torr
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 | 149.62 g/mol | CAS Common Chemistry |
| 149.62099999999998 g/mol | RDKit | |
| 149.060741684 g/mol | RDKit | |
| Boiling Point | 93-94 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCN1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAPMTSHEXFEPSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(2-Chloroethyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 0.5574 | RDKit |
| Molar Refractivity | 37.979000000000006 | RDKit |
