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CAS No.: | 153719-38-1 |
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Name: | 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C4H8N4O3 |
Molecular Weight: | 160.133 |
Synonyms: | 3-Methyl-4-nitroimino-tetrahydro-1,3,5-oxadiazine; |
EINECS: | 431-060-1 |
Density: | 1.6 g/cm3 |
Melting Point: | 141-143 °C |
Boiling Point: | 290.9 °C at 760 mmHg |
Flash Point: | 129.8 °C |
Solubility: | 16g/L at 25℃ |
PSA: | 82.68000 |
LogP: | -0.20940 |
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The IUPAC name of 2H-1,3,5-Oxadiazin-4-amine,3,6-dihydro-3-methyl-N-nitro- is N-(3-methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)nitramide. With the CAS registry number 153719-38-1, it is also named as 3,6-Dihydro-3-methyl-N-nitro-2H-1,3,5-oxadiazin-4-amine. The product's categories are Pesticide Intermediates; Other Pesticides. Besides, it is colorless solid. In addition, its molecular formula is C4H8N4O3 and molecular weight is 160.13.
The other characteristics of 2H-1,3,5-Oxadiazin-4-amine,3,6-dihydro-3-methyl-N-nitro- can be summarized as: (1)ACD/LogP: -2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -3.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 73.89 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 35.35 cm3; (15)Molar Volume: 99.5 cm3; (16)Polarizability: 14.01×10-24cm3; (17)Surface Tension: 66.9 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 129.8 °C; (20)Melting Point: 141-143 °C; (21)Enthalpy of Vaporization: 53.03 kJ/mol; (22)Boiling Point: 290.9 °C at 760 mmHg; (23)Vapour Pressure: 0.00201 mmHg at 25 °C.
Preparation and Uses of 2H-1,3,5-Oxadiazin-4-amine,3,6-dihydro-3-methyl-N-nitro-: frist of all, you can use S-Methyl-N-nitro-isothiourea to react with Aminomethane at 50 °C in the solution of Ethanol. And then use the resultant to react with Formaldehyde and Formic acid at 90 °C. At last, you would obtain this chemical. Additionally, this chemical is an intermediate of Thiamethoxam.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CN1COCN=C1N[N+](=O)[O-]
(2)InChI: InChI=1S/C4H8N4O3/c1-7-3-11-2-5-4(7)6-8(9)10/h2-3H2,1H3,(H,5,6)
(3)InChIKey: GAYLOVDFGKQKCJ-UHFFFAOYSA-N