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CAS No.: | 20857-92-5 |
---|---|
Name: | 1-(p-Nitrobenzoyl)piperidine |
Article Data: | 68 |
Molecular Structure: | |
Formula: | C12H14N2O3 |
Molecular Weight: | 234.255 |
Synonyms: | Piperidine,1-(4-nitrobenzoyl)-(9CI);Piperidine,1-(p-nitrobenzoyl)-(7CI,8CI);1-(4-Nitrobenzoyl)piperidine;1-(p-Nitrobenzoyl)piperidine;N-(4-Nitrobenzoyl)piperidine;N-(p-Nitrobenzoyl)piperidine; |
Density: | 1.256 g/cm3 |
Boiling Point: | 419.5 °C at 760 mmHg |
Flash Point: | 207.5 °C |
PSA: | 66.13000 |
LogP: | 2.68200 |
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The CAS registry number of Methanone,(4-nitrophenyl)-1-piperidinyl- is 20857-92-5. The systematic name is (4-nitrophenyl)(piperidin-1-yl)methanone. In addition, the molecular formula is C12H14N2O3 and the molecular weight is 234.25. It is also called Piperidine, 1- (4-nitrobenzoyl)-. What's more, it should be stored in a cool and dry place.
Physical properties about Methanone,(4-nitrophenyl)-1-piperidinyl- are: (1)ACD/LogP: 1.40 ; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 66.13 Å2; (5)Index of Refraction: 1.589; (6)Molar Refractivity: 62.81 cm3; (7)Molar Volume: 186.3 cm3; (8)Polarizability: 24.9 ×10-24cm3; (9)Surface Tension: 53 dyne/cm; (10)Density: 1.256 g/cm3; (11)Flash Point: 207.5 °C; (12)Enthalpy of Vaporization: 67.32 kJ/mol; (13)Boiling Point: 419.5 °C at 760 mmHg; (14)Vapour Pressure: 3.03E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc([N+]([O-])=O)cc1)N2CCCCC2
(2)InChI: InChI=1/C12H14N2O3/c15-12(13-8-2-1-3-9-13)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3,8-9H2
(3)InChIKey: CAKBAYWOHIUVHR-UHFFFAOYAO