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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
Names and Synonyms:
Cyanazine
Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-
Propionitrile, 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methyl-
2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
SD 15418
WL 19805
2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile
2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine
DW 3418
2-Chloro-4-ethylamino-6-(α,α-dimethylcyanomethyl)amino-1,3,5-triazine
Bladex
Cyanazine
Bladex 80WP
2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile
Fortrol
Cyanazin
Bladex 50WP
Gramex
Identifiers:
SMILES:
CCN=c1nc(Cl)nc(NC(C)(C)C#N)[nH]1
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)
Key Properties
Melting Point
167.5-169 °C
CAS Common Chemistry
Density
129.00 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 | 240.70 g/mol | CAS Common Chemistry |
| 240.698 g/mol | RDKit | |
| 240.08902209599998 g/mol | RDKit | |
| Density | 129.00 g/cm³ | CAS Common Chemistry |
| 129 g/cm3 @ Temp: 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 |
| Molar Refractivity | 60.81140000000002 | RDKit |
