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Molecule
Cyanazine
CAS: 21725-46-2 · C9H13ClN6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21725-46-2
- Molecular Formula
- C9H13ClN6
- Molecular Mass
- 240.70 g/mol
Identifiers
CAS Registry Number
21725-46-2
SMILES
CCN=c1nc(Cl)nc(NC(C)(C)C#N)[nH]1
InChI Key
MZZBPDKVEFVLFF-UHFFFAOYSA-N
InChI
InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
Names and Synonyms
- Cyanazine Synonym
- Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl- Synonym
- Propionitrile, 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methyl- Synonym
- 2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile Synonym
- SD 15418 Synonym
- WL 19805 Synonym
- 2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile Synonym
- 2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine Synonym
- DW 3418 Synonym
- 2-Chloro-4-ethylamino-6-(α,α-dimethylcyanomethyl)amino-1,3,5-triazine Synonym
- Bladex Synonym
- Cyanazine Synonym
- Bladex 80WP Synonym
- 2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile Synonym
- Fortrol Synonym
- Cyanazin Synonym
- Bladex 50WP Synonym
- Gramex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.70 g/mol | CAS Common Chemistry |
| 240.698 g/mol | RDKit | |
| 240.695 g/mol | chempirical lib | |
| Density | 129.00 g/cm³ | CAS Common Chemistry |
| 129 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyanazine | CAS Common Chemistry |
| Canonical SMILES | N#CC(NC=1N=C(Cl)N=C(N1)NCC)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=MZZBPDKVEFVLFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167.5-169 °C | CAS Common Chemistry |
| Name | Cyanazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 89.75 Ų | RDKit |
| LogP | 1.0927799999999999 | RDKit |
| 1.0928 | RDKit | |
| Molar Refractivity | 60.81140000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 240.08902209599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 240.70 g/mol; density = 129.000 g/mL. Edit any field — others recompute live.
