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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 Mass:
121.57 g/mol
Names and Synonyms:
N-Ethyl-N-Methylcarbamic Chloride
Carbamic chloride, N-ethyl-N-methyl-
Carbamic chloride, ethylmethyl-
N-Ethyl-N-methylcarbamic chloride
N-Ethyl-N-methylcarbamoyl chloride
N-Methyl-N-ethylcarbamyl chloride
Ethylmethylcarbamoyl chloride
Ethyl(methyl)carbamic chloride
Identifiers:
SMILES:
CCN(C)C(=O)Cl
InChI:
InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3
Key Properties
Boiling Point
88-89 °C @ Press: 40 Torr
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 |
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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 | 121.57 g/mol | CAS Common Chemistry |
| 121.567 g/mol | RDKit | |
| 121.029441556 g/mol | RDKit | |
| Boiling Point | 88-89 °C @ Press: 40 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)N(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XZVYDRLPXWFRIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-N-methylcarbamic chloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.2969 | RDKit |
| Molar Refractivity | 29.55299999999999 | RDKit |
