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Molecule
Imiprothrin
CAS: 72963-72-5 · C17H22N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 72963-72-5
- Molecular Formula
- C17H22N2O4
- Molecular Mass
- 318.37 g/mol
Identifiers
CAS Registry Number
72963-72-5
SMILES
C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O
InChI Key
VPRAQYXPZIFIOH-UHFFFAOYSA-N
InChI
InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3
Names and Synonyms
- Imiprothrin Synonym
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [2,5-dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]methyl ester Synonym
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, [2,5-dioxo-3-(2-propynyl)-1-imidazolidinyl]methyl ester Synonym
- Imiprothrin Synonym
- S 4056F Synonym
- S 41311 Synonym
- Pralle T Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.37 g/mol | CAS Common Chemistry |
| 318.3730000000001 g/mol | RDKit | |
| 318.373 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Imiprothrin | CAS Common Chemistry |
| Canonical SMILES | O=C(OCN1C(=O)N(CC#C)CC1=O)C2C(C=C(C)C)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VPRAQYXPZIFIOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Imiprothrin | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.92 Ų | RDKit |
| 66.46 Ų | chempirical lib | |
| LogP | 1.6228999999999996 | RDKit |
| 1.6229 | RDKit | |
| Molar Refractivity | 83.79900000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 318.157957184 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 318.37 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H22N2O4.
