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CAS No.: | 17616-03-4 |
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Name: | 1-DODECYL-PYRROLE-2,5-DIONE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C16H27NO2 |
Molecular Weight: | 265.396 |
Synonyms: | N-LAURYLMALEIMIDE;N-DODECYL MALEIMIDE;1-dodecyl-1h-pyrrole-5-dione;5-dione,1-dodecyl-1H-Pyrrole-2;1-DODECYL-PYRROLE-2,5-DIONE;N-Dodecylmaleinimide;1H-Pyrrole-2,5-dione, 1-dodecyl-;1-Dodecyl-3-pyrroline-2,5-dione |
Density: | 0.987 g/cm3 |
Boiling Point: | 371.9 °C at 760 mmHg |
Flash Point: | 142 °C |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-27-36/37/39 |
PSA: | 37.38000 |
LogP: | 3.77020 |
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The 1H-Pyrrole-2,5-dione,1-dodecyl-, with the CAS registry number 17616-03-4, is also known as N-Laurylmaleimide. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C16H27NO2 and molecular weight is 265.3911. What's more, its systematic name is called 1-Dodecyl-1H-pyrrole-2,5-dione.
Physical properties about this chemical are: (1)ACD/LogP: 6.00; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 21303.51; (6)ACD/BCF (pH 7.4): 21303.51; (7)ACD/KOC (pH 5.5): 43640.64; (8)ACD/KOC (pH 7.4): 43640.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 77.53 cm3; (15)Molar Volume: 268.7 cm3; (16)Polarizability: 30.73×10-24 cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 0.987 g/cm3; (19)Flash Point: 142 °C; (20)Enthalpy of Vaporization: 61.9 kJ/mol; (21)Boiling Point: 371.9 °C at 760 mmHg; (22)Vapour Pressure: 9.95E-06 mmHg at 25 °C.
Uses of 1H-Pyrrole-2,5-dione,1-dodecyl-: it is used to produce other chemicals. For example, it is used to produce 3-(3,5-Di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-dodecyl-pyrrolidine-2,5-dione.
The reaction needs reagent Triethylamine and solvent Toluene. This reaction will occur at room temperature. The yield is 68%.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if in contact with skin or swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. Take off immediately all contaminated clothing is also needed.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C/C(=O)N1CCCCCCCCCCCC
(2) InChI: InChI=1/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19/h12-13H,2-11,14H2,1H3
(3) InChIKey: SJLLJZNSZJHXQN-UHFFFAOYAI