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CAS No.: | 72078-82-1 |
---|---|
Name: | N-METHYL-2-NITROACETAMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C3H6N2O3 |
Molecular Weight: | 118.092 |
Synonyms: | N-Methyl-2-nitroacetamide;N-Methylnitroacetamide; |
Density: | 1.304 g/cm3 |
Melting Point: | 68-69 °C |
Boiling Point: | 325.3±25.0 °C(Predicted) |
PSA: | 74.92000 |
LogP: | -0.07680 |
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The Acetamide,N-methyl-2-nitro- is an organic compound with the formula C3H6N2O3. The systematic name of this chemical is [(1E)-2-(methylamino)-2-oxoethylidene]azinic acid. With the CAS registry number 72078-82-1, it is also named as N-Methyl-2-nitroacetamide.
Physical properties about Acetamide,N-methyl-2-nitro- are: (1)ACD/LogP: -0.93; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12; (5)ACD/KOC (pH 7.4): 12; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 78.08 Å2; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 27 cm3; (12)Molar Volume: 90.572 cm3; (13)Polarizability: 10.704×10-24cm3; (14)Surface Tension: 47.79 dyne/cm; (15)Density: 1.304 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]/[N+](O)=C\C(=O)NC
(2)InChI: InChI=1/C3H6N2O3/c1-4-3(6)2-5(7)8/h2H,1H3,(H,4,6)(H,7,8)
(3)InChIKey: SCKOYGXCCFINQW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C3H6N2O3/c1-4-3(6)2-5(7)8/h2H,1H3,(H,4,6)(H,7,8)
(5)Std. InChIKey: SCKOYGXCCFINQW-UHFFFAOYSA-N