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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
Names and Synonyms:
Diethylcarbamoyl Chloride
Carbamic chloride, N,N-diethyl-
Carbamoyl chloride, diethyl-
Carbamic chloride, diethyl-
N,N-Diethylcarbamic chloride
Diethylcarbamoyl chloride
N,N-Diethylcarbamoyl chloride
Diethylcarbamyl chloride
N,N-Diethylchloroformamide
(Diethylamino)carbonyl chloride
NSC 223067
N-(Chlorocarbonyl)diethylamine
Identifiers:
SMILES:
CCN(CC)C(=O)Cl
InChI:
InChI=1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
Key Properties
Boiling Point
186 °C
CAS Common Chemistry
Melting Point
-32 °C
CAS Common Chemistry
Density
1.07 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 | 135.59 g/mol | CAS Common Chemistry |
| 135.594 g/mol | RDKit | |
| 135.04509162 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0712 g/cm3 @ Temp: 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 |
| LogP | 1.687 | RDKit |
| Molar Refractivity | 34.169999999999995 | RDKit |
