Back to Search
4-(Chloroacetyl)Morpholine
CAS: 1440-61-5 | C6H10ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1440-61-5
Molecular Formula:
C6H10ClNO2
Molecular Mass:
163.60 g/mol
Names and Synonyms:
4-(Chloroacetyl)Morpholine
Ethanone, 2-chloro-1-(4-morpholinyl)-
Morpholine, 4-(chloroacetyl)-
2-Chloro-1-(4-morpholinyl)ethanone
N-(Chloroacetyl)morpholine
4-(Chloroacetyl)morpholine
Chloroacetic acid morpholide
4-Morpholinylcarbonylmethyl chloride
4-(2-Chloroacetyl)morpholine
2-Morpholino-2-oxoethyl chloride
2-Chloro-1-morpholino-1-ethanone
Chloroacetic acid morpholine amide
2-Chloro-1-(morpholin-4-yl)ethanone
NSC 54542
2-Chloro-1-morpholinoethanone
2-Chloro-1-(morpholin-4-yl)ethan-1-one
Identifiers:
SMILES:
O=C(CCl)N1CCOCC1
InChI:
InChI=1S/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
Key Properties
Boiling Point
152-160 °C @ Press: 6 Torr
CAS Common Chemistry
Density
1.28 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 | 163.60 g/mol | CAS Common Chemistry |
| 163.60399999999998 g/mol | RDKit | |
| 163.04000624 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.2782 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 152-160 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N1CCOCC1)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YMQRPXBBBOXHNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Chloroacetyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| LogP | 0.08400000000000007 | RDKit |
| Molar Refractivity | 38.11900000000001 | RDKit |
