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Molecule
Hydramethylnon
CAS: 67485-29-4 · C25H24F6N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 67485-29-4
- Molecular Formula
- C25H24F6N4
- Molecular Mass
- 494.48 g/mol
Identifiers
CAS Registry Number
67485-29-4
SMILES
CC1(C)CN=C(NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1
InChI Key
IQVNEKKDSLOHHK-UHFFFAOYSA-N
InChI
InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)
Names and Synonyms
- Hydramethylnon Synonym
- 1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone Synonym
- 2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone Synonym
- AC 217300 Synonym
- Amdro Synonym
- Hydramethylnon Synonym
- Maxforce Synonym
- Combat Synonym
- NSC 379665 Synonym
- Maxforce Roach Killer Bait Gel Synonym
- Maxforce Gel K Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 494.48 g/mol | CAS Common Chemistry |
| 494.4830000000001 g/mol | RDKit | |
| 494.483 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydramethylnon | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C1=CC=C(C=CC(=NNC2=NCC(C)(C)CN2)C=CC3=CC=C(C=C3)C(F)(F)F)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35) | CAS Common Chemistry |
| InChI Key | InChIKey=IQVNEKKDSLOHHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190 °C | CAS Common Chemistry |
| Name | Hydramethylnon | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.78 Ų | RDKit |
| LogP | 6.3818000000000055 | RDKit |
| 6.3818 | RDKit | |
| 6.1 | chempirical lib | |
| Molar Refractivity | 125.61240000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.28 | RDKit |
| Exact Mass | 494.19051608800004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 494.48 g/mol. Edit any field — others recompute live.
