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Tetramethrin
CAS: 7696-12-0 | C19H25NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7696-12-0
Molecular Formula:
C19H25NO4
Molecular Mass:
331.41 g/mol
Names and Synonyms:
Tetramethrin
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
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with N-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide
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
Neo-Pynamin
Tetramethrin
(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate
Phthalthrin
(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate
Bioneo-Pynamin
Insectol
Neo-Pynamin Forte
Pibutox
Pyrethrol L
d-Tetramethrin
Pion 1
(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
Identifiers:
SMILES:
CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C
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
Key Properties
Boiling Point
180-190 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
68-70 °C
CAS Common Chemistry
Density
1.11 g/cm³
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
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 |
|---|
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 | 331.41 g/mol | CAS Common Chemistry |
| 331.4120000000001 g/mol | RDKit | |
| 331.17835828 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.108 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethrin | CAS Common Chemistry |
| Boiling Point | 180-190 °C @ Press: 0.1 Torr | 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 |
| LogP | 2.964900000000002 | RDKit |
| Molar Refractivity | 88.49800000000005 | RDKit |
