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| CAS No.: | 110235-47-7 |
|---|---|
| Name: | MEPANIPYRIM |
| Molecular Structure: | |
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| Formula: | C14H13N3 |
| Molecular Weight: | 223.277 |
| Synonyms: | 2-Pyrimidinamine,4-methyl-N-phenyl-6-(1-propynyl)- (9CI);2-Anilino-4-methyl-6-(1-propynyl)pyrimidine;Frupica;Fulpica;KIF 3535;KUF6201;Mepanipyrim; |
| EINECS: | 432-140-7 |
| Density: | 1.16 g/cm3 |
| Melting Point: | 132.8 °C |
| Boiling Point: | 418.2 °C at 760 mmHg |
| Flash Point: | 206.7 °C |
| Solubility: | 3.1 mg l-1(20 °C) |
| Hazard Symbols: |
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| Risk Codes: | 51/53 |
| Safety: | 60 |
| PSA: | 37.81000 |
| LogP: | 2.97300 |
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Specification
The Mepanipyrim, with the cas registry number of 110235-47-7, has the systematic name and IUPAC name of 4-methyl-N-phenyl-6-(prop-1-yn-1-yl)pyrimidin-2-amine. And the molecular formula of the chemical is C14H13N3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 183.47; (6)ACD/BCF (pH 7.4): 183.67; (7)ACD/KOC (pH 5.5): 1451.24; (8)ACD/KOC (pH 7.4): 1452.8; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 67.22 cm3; (15)Molar Volume: 191.8 cm3; (16)Polarizability: 26.65×10-24cm3; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 206.7 °C; (20)Enthalpy of Vaporization: 67.17 kJ/mol; (21)Boiling Point: 418.2 °C at 760 mmHg; (22)Vapour Pressure: 3.35E-07 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, this material and/or its container must be disposed of as hazardous waste.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c(C#CC)cc(nc1Nc2ccccc2)C
(2)InChI: InChI=1/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
(3)InChIKey: CIFWZNRJIBNXRE-UHFFFAOYAS
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| duck | LD50 | oral | > 2250mg/kg (2250mg/kg) | Pesticide Manual. Vol. 9, Pg. 546, 1991. | |
| mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 546, 1991. | |
| quail | LD50 | oral | > 2250mg/kg (2250mg/kg) | Pesticide Manual. Vol. 9, Pg. 546, 1991. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 546, 1991. | |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 546, 1991. |