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| CAS No.: | 112636-83-6 |
|---|---|
| Name: | Dicyclanil |
| Molecular Structure: | |
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| Formula: | C8H10N6 |
| Molecular Weight: | 190.208 |
| Synonyms: | 2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine;4,6-Diamino-2-(cyclopropylamino)-5-pyrimidinecarbonitrile; |
| Density: | 1.449 g/cm3 |
| Melting Point: | 250.5-252.4oC |
| Boiling Point: | 543.639 °C at 760 mmHg |
| Flash Point: | 282.583 °C |
| Appearance: | White microcrystalline powder |
| Hazard Symbols: |
 Xn,  N
|
| Risk Codes: | 20/22-51/53 |
| Safety: | 36/37/39-61 |
| Transport Information: | UN 3077 |
| PSA: | 113.64000 |
| LogP: | 1.32238 |
2-cyclopropylamino-4,6-diamino-5-cyanopyrimidine
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 100℃; for 3.5h; Temperature; Large scale; | 80% |
4,6-diamino-2-chloro-5-cyanopyrimidine
Cyclopropylamine
2-cyclopropylamino-4,6-diamino-5-cyanopyrimidine
| Conditions | Yield |
|---|---|
| With potassium hydroxide In acetonitrile for 5h; Reagent/catalyst; Solvent; Reflux; | 68.7% |
dimethyl N-cyanodithioiminocarbonate
Cyclopropylamine
malononitrile
2-cyclopropylamino-4,6-diamino-5-cyanopyrimidine
| Conditions | Yield |
|---|---|
| Stage #1: malononitrile With sodium methylate In methanol at 0 - 5℃; for 0.5h; Stage #2: dimethyl N-cyanodithioiminocarbonate In methanol at 0 - 5℃; for 12h; Stage #3: Cyclopropylamine Further stages; | 80 g |
2-cyclopropylamino-4,6-diamino-5-cyanopyrimidine
| Conditions | Yield |
|---|---|
| With water pH=6.2; Product distribution; Further Variations:; Reagents; var. time; UV-irradiation; |
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The Dicyclanil is an organic compound with the formula C8H10N6. The IUPAC name of this chemical is 4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile. With the CAS registry number 112636-83-6, it is also named as 2-(Cyclopropylamino)-4,6-diamino-5-cyanopyrimidine. Additionally, this chemical should be stored at the temperature of 0-6°C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.25; (8)ACD/KOC (pH 7.4): 13.68; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.68; (13)Molar Refractivity: 49.62 cm3; (14)Molar Volume: 131.2 cm3; (15)Polarizability: 19.67×10-24 cm3; (16)Surface Tension: 100.1 dyne/cm; (17)Enthalpy of Vaporization: 82.21 kJ/mol; (18)Vapour Pressure: 7.04E-12 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 10; (21)Exact Mass: 190.096694; (22)MonoIsotopic Mass: 190.096694; (23)Topological Polar Surface Area: 114; (24)Heavy Atom Count: 14; (25)Complexity: 242.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation and if swallowed, but also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES:N#Cc1c(nc(nc1N)NC2CC2)N
2. InChI:InChI=1/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)
3. InChIKey:PKTIFYGCWCQRSX-UHFFFAOYAI
