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Name |
1H-Pyrrole-2,5-dione,1-(2-methylpropyl)- |
EINECS | N/A |
CAS No. | 4120-68-7 | Density | 1.117 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11NO2 | Boiling Point | 235.8 °C at 760 mmHg |
Molecular Weight | 153.181 | Flash Point | 95.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Isobutyl-1H-pyrrole-2,5-dione; |
Article Data | 10 |
The 1H-Pyrrole-2,5-dione,1-(2-methylpropyl)-, with the CAS registry number 4120-68-7, is also known as 1-Isobutyl-1H-pyrrole-2,5-dione. This chemical's molecular formula is C8H11NO2 and molecular weight is 153.1784. What's more, its systematic name is called 1-(2-Methylpropyl)-1H-pyrrole-2,5-dione.
Physical properties about 1H-Pyrrole-2,5-dione,1-(2-methylpropyl)- are: (1)ACD/LogP: 1.56; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0 ; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.501; (8)Molar Refractivity: 40.42 cm3; (9)Molar Volume: 137 cm3; (10)Polarizability: 16.02×10-24 cm3; (11)Surface Tension: 39.2 dyne/cm; (12)Density: 1.117 g/cm3; (13)Flash Point: 95.5 °C; (14)Enthalpy of Vaporization: 47.26 kJ/mol; (15)Boiling Point: 235.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0491 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C\C(=O)N1CC(C)C
(2) InChI: InChI=1/C8H11NO2/c1-6(2)5-9-7(10)3-4-8(9)11/h3-4,6H,5H2,1-2H3
(3) InChIKey: NBIYKOUEZOEMMC-UHFFFAOYAC