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| CAS No.: | 77658-84-5 |
|---|---|
| Name: | Antineoplaston A10 |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C13H14N2O3 |
| Molecular Weight: | 246.266 |
| Synonyms: | 3-(Phenylacetylamino)piperidine-2,6-dione; |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 571.2 °C at 760 mmHg |
| Flash Point: | 243.7 °C |
| PSA: | 75.27000 |
| LogP: | 0.87020 |
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- Total:24 Page 1 of 1 1
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Specification
The 3-Phenylacetylamino-2,6-piperidinedione, with CAS registry number 77658-84-5, has the systematic name of N-(2,6-dioxopiperidin-3-yl)-2-phenylacetamide. And its IUPAC name is the same one. Besides this, it is also called benzeneacetamide, N-(2,6-dioxo-3-piperidinyl)-.
Physical properties about this chemical are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.74; (8)ACD/KOC (pH 7.4): 30.73; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.69 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 64.75 cm3; (15)Molar Volume: 193.4 cm3; (16)Polarizability: 25.66×10-24cm3; (17)Surface Tension: 54 dyne/cm; (18)Enthalpy of Vaporization: 85.66 kJ/mol; (19)Vapour Pressure: 4.66E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(=O)CCC2NC(=O)Cc1ccccc1
(2)InChI: InChI=1/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)
(3)InChIKey: OQGRFQCUGLKSAV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)
(5)Std. InChIKey: OQGRFQCUGLKSAV-UHFFFAOYSA-N