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CAS No.: | 14166-26-8 |
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Name: | Taglutimide |
Molecular Structure: | |
Formula: | C14H16N2O4 |
Molecular Weight: | 276.29 |
Synonyms: | 2,3-Norbornanedicarboximide,N-(2,6-dioxo-3-piperidyl)-, stereoisomer (8CI);3-(1,4-Endomethylenecyclohexane-2,3-endo,cis-dicarboximido)piperidine-2,6-dione;Biglumide;K 2004;Taglutimide;cis-endo-N-(2,6-Dioxo-3-piperidyl)-2,3-norbornanedicarboximide;2-(2,6-Dioxo-3-piperidinyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione;3-(1,4-Endomethylenecyclohexane-2,3-endo,cis-dicarboximido)piperidine-2,6-dione;Taglutimidum; |
Density: | 1.434 g/cm3 |
Melting Point: | 234-236℃ |
Boiling Point: | 553.3 °C at 760 mmHg |
Flash Point: | 288.4 °C |
PSA: | 83.55000 |
LogP: | 0.08940 |
The CAS registry number of 4,7-Methano-1H-isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)hexahydro-(9CI) is 14166-26-8. The IUPAC name is 2-(2,6-dioxopiperidin-3-yl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. In addition, the molecular formula is C14H16N2O4 and the molecular weight is 276.29. It is bicyclo analog of thalidomide with teratogenic properties and belongs to the class of Hypnotic.
Physical properties about 4,7-Methano-1H-isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)hexahydro-(9CI) are: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): 0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.72; (7)ACD/KOC (pH 7.4): 25.71; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74.76 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 66.14 cm3; (14)Molar Volume: 192.6 cm3; (15)Polarizability: 26.22 ×10-24cm3; (16)Surface Tension: 60.7 dyne/cm; (17)Density: 1.434 g/cm3; (18)Flash Point: 288.4 °C; (19)Enthalpy of Vaporization: 83.41 kJ/mol; (20)Boiling Point: 553.3 °C at 760 mmHg; (21)Vapour Pressure: 2.75E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)CCC1N3C(=O)C4C2CCC(C2)C4C3=O
(2)InChI: InChI=1/C14H16N2O4/c17-9-4-3-8(12(18)15-9)16-13(19)10-6-1-2-7(5-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)
(3)InChIKey: URPJPYAYMWPUPR-UHFFFAOYAG