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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
Names and Synonyms:
Amitraz
Methanimidamide, N′-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-
Formamidine, N-methyl-N′-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-
N′-(2,4-Dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methylmethanimidamide
U 36059
BTS 27419
Azaform
Amitraz
Triazid
BAAM
1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene
Taktic
Edrizar
Mitac
Fumilat A
Mitaban
BAAM (pesticide)
TCL
Varamit
Ovasyn
Bovitraz
Ektodex
Acarac
ENT 27967
NSC 324552
Parsec
Amigard
N′-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-methylimidoformamide
Apivar ND
ApiVar
Preventic
Triatox
Identifiers:
SMILES:
Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1
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
Key Properties
Melting Point
86-87 °C
CAS Common Chemistry
Density
1.10 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 | 293.41 g/mol | CAS Common Chemistry |
| 293.41400000000004 g/mol | RDKit | |
| 293.18919773600004 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 |
| LogP | 4.871880000000004 | RDKit |
| Molar Refractivity | 95.89900000000004 | RDKit |
