Back to Search
N-Ethyl-N-Methylcarbamic Chloride
CAS: 42252-34-6 | C4H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42252-34-6
Molecular Formula:
C4H8ClNO
Molecular Weight:
121.567 g/mol
Names and Synonyms:
N-Ethyl-N-Methylcarbamic Chloride
Ethyl(methyl)carbamic chloride
Ethylmethylcarbamoyl chloride
N-Methyl-N-ethylcarbamyl chloride
N-Ethyl-N-methylcarbamoyl chloride
N-Ethyl-N-methylcarbamic chloride
Carbamic chloride, ethylmethyl-
Carbamic chloride, N-ethyl-N-methyl-
Identifiers:
SMILES:
CCN(C)C(=O)Cl
InChI:
InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 121.57 g/mol | Legacy Database |
| cas-boiling-point | 88-89 °C @ Press: 40 Torr None | Legacy Database |
| cas-canonical-smile | O=C(Cl)N(C)CC None | Legacy Database |
| cas-inchi | InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XZVYDRLPXWFRIS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-Ethyl-N-methylcarbamic chloride None | Legacy Database |
| LogP | 1.2969 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 121.567 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 121.029441556 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.55299999999999 | RDKit |
