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CAS No.: | 53629-18-8 |
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Name: | 1-cyclododecyl-1H-pyrrole-2,5-dione |
Molecular Structure: | |
Formula: | C16H25NO2 |
Molecular Weight: | 263.3752 |
Synonyms: | 1-Cyclododecylazoline-2,5-dione; |
Density: | 1.042 g/cm3 |
Boiling Point: | 395.2 °C at 760 mmHg |
Flash Point: | 162.3 °C |
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The 1H-Pyrrole-2,5-dione,1-cyclododecyl-, with the CAS registry number 53629-18-8, is also known as 1-Cyclododecylazoline-2,5-dione. This chemical's molecular formula is C16H25NO2 and molecular weight is 263.3752. What's more, both its IUPAC name and systematic name are the same which is called 1-Cyclododecyl-1H-pyrrole-2,5-dione.
Physical properties about 1H-Pyrrole-2,5-dione,1-cyclododecyl- are: (1)ACD/LogP: 5.60; (2)#of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 75.26 cm3; (9)Molar Volume: 252.6 cm3; (10)Surface Tension: 39.7 dyne/cm; (11)Density: 1.042 g/cm3; (12)Flash Point: 162.3 °C; (13)Enthalpy of Vaporization: 64.54 kJ/mol; (14)Boiling Point: 395.2 °C at 760 mmHg; (15)Vapour Pressure: 1.87E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C/C(=O)N1C2CCCCCCCCCCC2
(2) InChI: InChI=1/C16H25NO2/c18-15-12-13-16(19)17(15)14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2
(3) InChIKey: MHEFNZSCICKHDS-UHFFFAOYAZ