Back to Search
Molecule
Diethylcarbamoyl Chloride
CAS: 88-10-8 · C5H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 88-10-8
- Molecular Formula
- C5H10ClNO
- Molecular Mass
- 135.59 g/mol
Identifiers
CAS Registry Number
88-10-8
SMILES
CCN(CC)C(=O)Cl
InChI Key
OFCCYDUUBNUJIB-UHFFFAOYSA-N
InChI
InChI=1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
Names and Synonyms
- Diethylcarbamoyl Chloride Common Name
- Carbamic chloride, N,N-diethyl- Synonym
- Carbamoyl chloride, diethyl- Synonym
- Carbamic chloride, diethyl- Synonym
- N,N-Diethylcarbamic chloride Synonym
- Diethylcarbamoyl chloride Synonym
- N,N-Diethylcarbamoyl chloride Synonym
- Diethylcarbamyl chloride Synonym
- N,N-Diethylchloroformamide Synonym
- (Diethylamino)carbonyl chloride Synonym
- NSC 223067 Synonym
- N-(Chlorocarbonyl)diethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.59 g/mol | CAS Common Chemistry |
| 135.594 g/mol | RDKit | |
| 135.591 g/mol | chempirical lib | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0712 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 186 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OFCCYDUUBNUJIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -32 °C | CAS Common Chemistry |
| Name | Diethylcarbamoyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.687 | RDKit |
| 1.81 | chempirical lib | |
| Molar Refractivity | 34.169999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 135.04509162 g/mol | RDKit |
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 = 135.59 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10ClNO.
