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2-Chloro-N-Methoxy-N-Methylacetamide
CAS: 67442-07-3 | C4H8ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67442-07-3
Molecular Formula:
C4H8ClNO2
Molecular Mass:
137.57 g/mol
Names and Synonyms:
2-Chloro-N-Methoxy-N-Methylacetamide
Acetamide, 2-chloro-N-methoxy-N-methyl-
2-Chloro-N-methoxy-N-methylacetamide
N-Methoxy-N-methylchloroacetamide
α-Chloro-N-methoxy-N-methylacetamide
N-Methyl-N-methoxy-2-chloroacetamide
Identifiers:
SMILES:
CON(C)C(=O)CCl
InChI:
InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3
Key Properties
Melting Point
38.1-39.0 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 | 137.57 g/mol | CAS Common Chemistry |
| 137.56599999999997 g/mol | RDKit | |
| 137.024356176 g/mol | RDKit | |
| Canonical SMILES | O=C(N(OC)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCOJKGRNQDKFRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38.1-39.0 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-methoxy-N-methylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 0.24499999999999988 | RDKit |
| Molar Refractivity | 30.498999999999988 | RDKit |
