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| CAS No.: | 52065-78-8 |
|---|---|
| Name: | 2,5-Piperidinedione |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C5H7NO2 |
| Molecular Weight: | 113.116 |
| Synonyms: | 2,5-Piperidinedione |
| Density: | 1.184 g/cm3 |
| Boiling Point: | 362.1 °C at 760 mmHg |
| Flash Point: | 193.6 °C |
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Specification
The 2,5-Piperidinedione with the cas registry number of 52065-78-8 belongs to the product categories of Ketone. This chemical's molecular formula is C5H7NO2 and formula weight is 113.11. It is also known as Piperidine-2,5-dione. What's more, its systematic name is called Piperidine-2,5-dione.
Physical properties about this chemical are: (1)ACD/LogP: -2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.36; (4)ACD/LogD (pH 7.4): -2.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.24; (8)ACD/KOC (pH 7.4): 1.24; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 26.66 cm3; (15)Molar Volume: 95.4 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.184 g/cm3; (18)Flash Point: 193.6 °C; (19)Enthalpy of Vaporization: 60.8 kJ/mol; (20)Boiling Point: 362.1 °C at 760 mmHg; (21)Vapour Pressure: 1.98E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CNC(=O)CC1;
(2)InChI: InChI=1/C5H7NO2/c7-4-1-2-5(8)6-3-4/h1-3H2,(H,6,8);
(3)InChIKey: ICZVBOAABXHPSZ-UHFFFAOYAJ;
(4)Std. InChI: InChI=1S/C5H7NO2/c7-4-1-2-5(8)6-3-4/h1-3H2,(H,6,8);
(5)Std. InChIKey: ICZVBOAABXHPSZ-UHFFFAOYSA-N.