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Molecule
4-Morpholinecarbonyl Chloride
CAS: 15159-40-7 · C5H8ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15159-40-7
- Molecular Formula
- C5H8ClNO2
- Molecular Mass
- 149.58 g/mol
Identifiers
CAS Registry Number
15159-40-7
SMILES
O=C(Cl)N1CCOCC1
InChI Key
XMWFMEYDRNJSOO-UHFFFAOYSA-N
InChI
InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
Names and Synonyms
- 4-Morpholinecarbonyl Chloride Synonym
- 4-Morpholinecarbonyl chloride Synonym
- Morpholinocarbonyl chloride Synonym
- Morpholine, 4-(chlorocarbonyl)- Synonym
- N-Chlorocarbonylmorpholine Synonym
- 4-(Chloroformyl)morpholine Synonym
- 4-Morpholinocarbonyl chloride Synonym
- 4-(Chlorocarbonyl)morpholine Synonym
- NSC 50226 Synonym
- 4-Morpholinecarboxylic acid chloride Synonym
- N-Morpholinecarbonyl chloride Synonym
- 4-Morpholinylcarbonyl chloride Synonym
- Morpholine-4-carbonyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.58 g/mol | CAS Common Chemistry |
| 149.57699999999997 g/mol | RDKit | |
| 149.577 g/mol | RDKit | |
| 149.574 g/mol | chempirical lib | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.2816 g/cm3 @ 20 °C | 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 |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | 0.6774000000000001 | RDKit |
| 0.6774 | RDKit | |
| Molar Refractivity | 33.641 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 149.024356176 g/mol | RDKit |
| Boiling Point | 102 °C @ 8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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
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MW = 149.58 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
