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Propyzamide
CAS: 23950-58-5 | C12H11Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23950-58-5
Molecular Formula:
C12H11Cl2NO
Molecular Mass:
256.13 g/mol
Names and Synonyms:
Propyzamide
Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-
Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-
3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide
N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide
Pronamide
3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide
RH 315
Kerb
Propyzamide
Kerb 50W
3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide
Kerb Flo
Kerb Flo 500
3,5-Dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
Identifiers:
SMILES:
C#CC(C)(C)N=C(O)c1cc(Cl)cc(Cl)c1
InChI:
InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
Key Properties
Melting Point
155-156 °C
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
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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 | 256.13 g/mol | CAS Common Chemistry |
| 256.132 g/mol | RDKit | |
| 255.021769332 g/mol | RDKit | |
| Canonical SMILES | O=C(NC(C#C)(C)C)C=1C=C(Cl)C=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=PHNUZKMIPFFYSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-156 °C | CAS Common Chemistry |
| Name | Propyzamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 3.709800000000002 | RDKit |
| Molar Refractivity | 68.53980000000003 | RDKit |
