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Molecule
Tetramethrin
CAS: 7696-12-0 · C19H25NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7696-12-0
- Molecular Formula
- C19H25NO4
- Molecular Mass
- 331.41 g/mol
Identifiers
CAS Registry Number
7696-12-0
SMILES
CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C
InChI Key
CXBMCYHAMVGWJQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3
Names and Synonyms
- Tetramethrin Synonym
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester Synonym
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with N-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide Synonym
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester Synonym
- Neo-Pynamin Synonym
- Tetramethrin Synonym
- (1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate Synonym
- Phthalthrin Synonym
- (1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate Synonym
- Bioneo-Pynamin Synonym
- Insectol Synonym
- Neo-Pynamin Forte Synonym
- Pibutox Synonym
- Pyrethrol L Synonym
- d-Tetramethrin Synonym
- Pion 1 Synonym
- (1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 331.41 g/mol | CAS Common Chemistry |
| 331.4120000000001 g/mol | RDKit | |
| 331.412 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.108 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethrin | CAS Common Chemistry |
| Canonical SMILES | O=C1C2=C(C(=O)N1COC(=O)C3C(C=C(C)C)C3(C)C)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CXBMCYHAMVGWJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68-70 °C | CAS Common Chemistry |
| Name | Tetramethrin | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.68 Ų | RDKit |
| 63.45 Ų | chempirical lib | |
| LogP | 2.964900000000002 | RDKit |
| 2.9649 | RDKit | |
| Molar Refractivity | 88.49800000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6316 | RDKit |
| 0.63 | chempirical lib | |
| Exact Mass | 331.17835828 g/mol | RDKit |
| Boiling Point | 180-190 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 331.41 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H25NO4.
