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Molecule
Amitraz
CAS: 33089-61-1 · C19H23N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33089-61-1
- Molecular Formula
- C19H23N3
- Molecular Mass
- 293.41 g/mol
Identifiers
CAS Registry Number
33089-61-1
SMILES
Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1
InChI Key
QXAITBQSYVNQDR-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
Names and Synonyms
- Amitraz Common Name
- Methanimidamide, N′-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl- Synonym
- Formamidine, N-methyl-N′-2,4-xylyl-N-(N-2,4-xylylformimidoyl)- Synonym
- N′-(2,4-Dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methylmethanimidamide Synonym
- U 36059 Synonym
- BTS 27419 Synonym
- Azaform Synonym
- Amitraz Synonym
- Triazid Synonym
- BAAM Synonym
- 1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene Synonym
- Taktic Synonym
- Edrizar Synonym
- Mitac Synonym
- Fumilat A Synonym
- Mitaban Synonym
- BAAM (pesticide) Synonym
- TCL Synonym
- Varamit Synonym
- Ovasyn Synonym
- Bovitraz Synonym
- Ektodex Synonym
- Acarac Synonym
- ENT 27967 Synonym
- NSC 324552 Synonym
- Parsec Synonym
- Amigard Synonym
- N′-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-methylimidoformamide Synonym
- Apivar ND Synonym
- ApiVar Synonym
- Preventic Synonym
- Triatox Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.41 g/mol | CAS Common Chemistry |
| 293.41400000000004 g/mol | RDKit | |
| 293.414 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/Amitraz | CAS Common Chemistry |
| Canonical SMILES | N(=CN(C=NC1=CC=C(C=C1C)C)C)C2=CC=C(C=C2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QXAITBQSYVNQDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86-87 °C | CAS Common Chemistry |
| Name | Amitraz | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.96 Ų | RDKit |
| 27.73 Ų | chempirical lib | |
| LogP | 4.871880000000004 | RDKit |
| 4.8719 | RDKit | |
| Molar Refractivity | 95.89900000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2632 | RDKit |
| 0.26 | chempirical lib | |
| Exact Mass | 293.18919773600004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 293.41 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
