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4-Morpholinecarbonyl Chloride
CAS: 15159-40-7 | C5H8ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15159-40-7
Molecular Formula:
C5H8ClNO2
Molecular Mass:
149.58 g/mol
Names and Synonyms:
4-Morpholinecarbonyl Chloride
4-Morpholinecarbonyl chloride
Morpholinocarbonyl chloride
Morpholine, 4-(chlorocarbonyl)-
N-Chlorocarbonylmorpholine
4-(Chloroformyl)morpholine
4-Morpholinocarbonyl chloride
4-(Chlorocarbonyl)morpholine
NSC 50226
4-Morpholinecarboxylic acid chloride
N-Morpholinecarbonyl chloride
4-Morpholinylcarbonyl chloride
Morpholine-4-carbonyl chloride
Identifiers:
SMILES:
O=C(Cl)N1CCOCC1
InChI:
InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
Key Properties
Boiling Point
102 °C @ Press: 8 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 | 149.58 g/mol | CAS Common Chemistry |
| 149.57699999999997 g/mol | RDKit | |
| 149.024356176 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.2816 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 102 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)N1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XMWFMEYDRNJSOO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Morpholinecarbonyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| LogP | 0.6774000000000001 | RDKit |
| Molar Refractivity | 33.641 | RDKit |
