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CAS No.: | 494782-69-3 |
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Name: | N,N-DIMETHYL-2-(PIPERAZIN-1-YL)BENZAMIDE OXALATE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C13H19N3O |
Molecular Weight: | 233.313 |
Synonyms: | N,N-Dimethyl-2-(piperazin-1-yl)benzamide oxalate;1-[2-(Dimethylcarbamoyl)phenyl]piperazine oxalate; |
Density: | 1.095±0.06 g/cm3(Predicted) |
Boiling Point: | 611 °C at 760 mmHg |
Flash Point: | 323.3 °C |
PSA: | 35.58000 |
LogP: | 1.19180 |
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The CAS register number of N,N-dimethyl-2-(piperazin-1-yl)benzamide is 494782-69-3. It also can be called as 1-[2-(Dimethylcarbamoyl)phenyl]piperazine oxalate and the systematic name about this chemical is N,N-dimethyl-2-piperazin-1-yl-benzamide; oxalic acid. The molecular formula about this chemical is C13H19N3O and the molecular weight is 233.313.
Physical properties about N,N-dimethyl-2-(piperazin-1-yl)benzamide are: (1)#H bond acceptors: 8; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 110.18 Å2; (5)Flash Point: 323.3 °C; (6)Enthalpy of Vaporization: 95.4 kJ/mol; (7)Boiling Point: 611 °C at 760 mmHg; (8)Vapour Pressure: 8.74E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)C(=O)c1ccccc1N2CCNCC2.C(=O)(C(=O)O)O
(2)InChI: InChI=1/C13H19N3O.C2H2O4/c1-15(2)13(17)11-5-3-4-6-12(11)16-9-7-14-8-10-16;3-1(4)2(5)6/h3-6,14H,7-10H2,1-2H3;(H,3,4)(H,5,6)
(3)InChIKey: GLFOMWAWXONXBZ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C13H19N3O.C2H2O4/c1-15(2)13(17)11-5-3-4-6-12(11)16-9-7-14-8-10-16;3-1(4)2(5)6/h3-6,14H,7-10H2,1-2H3;(H,3,4)(H,5,6)
(5)Std. InChIKey: GLFOMWAWXONXBZ-UHFFFAOYSA-N