Back to Search
Molecule
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
Identifiers
CAS Registry Number
1440-61-5
SMILES
O=C(CCl)N1CCOCC1
InChI Key
YMQRPXBBBOXHNZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
Names and Synonyms
- 4-(Chloroacetyl)Morpholine Systematic Name
- Ethanone, 2-chloro-1-(4-morpholinyl)- Synonym
- Morpholine, 4-(chloroacetyl)- Synonym
- 2-Chloro-1-(4-morpholinyl)ethanone Synonym
- N-(Chloroacetyl)morpholine Synonym
- 4-(Chloroacetyl)morpholine Synonym
- Chloroacetic acid morpholide Synonym
- 4-Morpholinylcarbonylmethyl chloride Synonym
- 4-(2-Chloroacetyl)morpholine Synonym
- 2-Morpholino-2-oxoethyl chloride Synonym
- 2-Chloro-1-morpholino-1-ethanone Synonym
- Chloroacetic acid morpholine amide Synonym
- 2-Chloro-1-(morpholin-4-yl)ethanone Synonym
- NSC 54542 Synonym
- 2-Chloro-1-morpholinoethanone Synonym
- 2-Chloro-1-(morpholin-4-yl)ethan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.60 g/mol | CAS Common Chemistry |
| 163.60399999999998 g/mol | RDKit | |
| 163.604 g/mol | RDKit | |
| 163.601 g/mol | chempirical lib | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.2782 g/cm3 @ 20 °C | 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 |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | 0.08400000000000007 | RDKit |
| 0.084 | RDKit | |
| Molar Refractivity | 38.11900000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 163.04000624 g/mol | RDKit |
| Boiling Point | 152-160 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 163.60 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
