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Molecule
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
Identifiers
CAS Registry Number
165252-70-0
SMILES
CN=C(NCC1CCOC1)N[N+](=O)[O-]
InChI Key
YKBZOVFACRVRJN-UHFFFAOYSA-N
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)
Names and Synonyms
- Dinotefuran Common Name
- Guanidine, N′′-methyl-N-nitro-N′-[(tetrahydro-3-furanyl)methyl]- Synonym
- Guanidine, N-methyl-N′-nitro-N′′-[(tetrahydro-3-furanyl)methyl]- Synonym
- N′′-Methyl-N-nitro-N′-[(tetrahydro-3-furanyl)methyl]guanidine Synonym
- MTI 446 Synonym
- Dinotefuran Synonym
- Starkle Synonym
- Safari Synonym
- Safari (insecticide) Synonym
- Venom (insecticide) Synonym
- Mikeblock Synonym
- Tenchu Synonym
- Zylam Synonym
- Alpine WSG Synonym
- Nidinotefuran Synonym
- Safari 20SG Synonym
- Arubarin Synonym
- 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.21 g/mol | CAS Common Chemistry |
| 202.214 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 |
| 83.95 Ų | chempirical lib | |
| LogP | -0.6203999999999994 | RDKit |
| -0.6204 | RDKit | |
| Molar Refractivity | 50.41780000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 202.106590308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 202.21 g/mol. Edit any field — others recompute live.
