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Dinotefuran
CAS: 165252-70-0 | C7H14N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
165252-70-0
Molecular Formula:
C7H14N4O3
Molecular Mass:
202.21 g/mol
Names and Synonyms:
Dinotefuran
Guanidine, N′′-methyl-N-nitro-N′-[(tetrahydro-3-furanyl)methyl]-
Guanidine, N-methyl-N′-nitro-N′′-[(tetrahydro-3-furanyl)methyl]-
N′′-Methyl-N-nitro-N′-[(tetrahydro-3-furanyl)methyl]guanidine
MTI 446
Dinotefuran
Starkle
Safari
Safari (insecticide)
Venom (insecticide)
Mikeblock
Tenchu
Zylam
Alpine WSG
Nidinotefuran
Safari 20SG
Arubarin
1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine
Identifiers:
SMILES:
CN=C(NCC1CCOC1)N[N+](=O)[O-]
InChI:
InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
Key Properties
Melting Point
94.5-101.5 °C
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 | 202.21 g/mol | CAS Common Chemistry |
| 202.214 g/mol | RDKit | |
| 202.106590308 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dinotefuran | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)NC(=NCC1COCC1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=YKBZOVFACRVRJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94.5-101.5 °C | CAS Common Chemistry |
| Name | Dinotefuran | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.79 Ų | RDKit |
| LogP | -0.6203999999999994 | RDKit |
| Molar Refractivity | 50.41780000000002 | RDKit |
