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Molecule
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
Identifiers
CAS Registry Number
23950-58-5
SMILES
C#CC(C)(C)N=C(O)c1cc(Cl)cc(Cl)c1
InChI Key
PHNUZKMIPFFYSO-UHFFFAOYSA-N
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)
Names and Synonyms
- Propyzamide Synonym
- Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)- Synonym
- Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)- Synonym
- 3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide Synonym
- N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide Synonym
- Pronamide Synonym
- 3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide Synonym
- RH 315 Synonym
- Kerb Synonym
- Propyzamide Synonym
- Kerb 50W Synonym
- 3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide Synonym
- Kerb Flo Synonym
- Kerb Flo 500 Synonym
- 3,5-Dichloro-N-(2-methylbut-3-yn-2-yl)benzamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.13 g/mol | CAS Common Chemistry |
| 256.132 g/mol | RDKit | |
| 256.126 g/mol | chempirical lib | |
| 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 |
| 3.7098 | RDKit | |
| Molar Refractivity | 68.53980000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 255.021769332 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 256.13 g/mol. Edit any field — others recompute live.
