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2-Chloro-N-(2,6-Dimethylphenyl)Acetamide
CAS: 1131-01-7 | C10H12ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1131-01-7
Molecular Formula:
C10H12ClNO
Molecular Mass:
197.67 g/mol
Names and Synonyms:
2-Chloro-N-(2,6-Dimethylphenyl)Acetamide
Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-
2′,6′-Acetoxylidide, 2-chloro-
2-Chloro-N-(2,6-dimethylphenyl)acetamide
2-Chloro-2′,6′-dimethylacetanilide
Chloroacetamido-2,6-xylidine
Chloroaceto-2,6-xylidide
2-Chloroaceto-2,6-xylidide
2-Chloro-2′,6′-acetoxylidide
N-Chloroacetyl-2,6-dimethylaniline
1-Chloroacetylamino-2,6-dimethylbenzene
2′,6′-Dimethyl-2-chloroacetanilide
N-(2,6-Xylyl)chloroacetamide
N-(2,6-Dimethylphenyl)-2-chloroacetamide
N-(2,6-Dimethylphenyl)chloroacetamide
NSC 37260
N-(2,6-Dimethylphenyl)-2-chloroethanamide
Identifiers:
SMILES:
Cc1cccc(C)c1N=C(O)CCl
InChI:
InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
Key Properties
Melting Point
145-146 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
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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 |
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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 | 197.67 g/mol | CAS Common Chemistry |
| 197.665 g/mol | RDKit | |
| 197.060741684 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C(=CC=CC1C)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=FPQQSNUTBWFFLB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-146 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-(2,6-dimethylphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.1302400000000015 | RDKit |
| Molar Refractivity | 56.35980000000002 | RDKit |
