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CAS No.: | 6306-70-3 |
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Name: | 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-2,5-dimethyl-pyrrole |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C14H20N2 |
Molecular Weight: | 216.322 |
Synonyms: | 1-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]-2,5-dimethyl-1H-pyrrole; |
Density: | 0.98 g/cm3 |
Boiling Point: | 354.6 °C at 760 mmHg |
Flash Point: | 168.2 °C |
PSA: | 9.86000 |
LogP: | 3.22340 |
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The 1H-Pyrrole,1,1'-(1,2-ethanediyl)bis[2,5-dimethyl-, with the CAS registry number 6306-70-3, is also known as 1-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]-2,5-dimethyl-1H-pyrrole. This chemical's molecular formula is C14H20N2 and molecular weight is 216.322. What's more, its systematic name is called 1,1'-Ethane-1,2-diylbis(2,5-dimethyl-1H-pyrrole).
Physical properties about 1H-Pyrrole,1,1'-(1,2-ethanediyl)bis[2,5-dimethyl- are: (1)ACD/LogP: 4.07; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 9.86 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 69.13 cm3; (9)Molar Volume: 219 cm3; (10)Polarizability: 27.4×10-24 cm3; (11)Surface Tension: 32.6 dyne/cm; (12)Density: 0.98 g/cm3; (13)Flash Point: 168.2 °C; (14)Enthalpy of Vaporization: 57.6 kJ/mol; (15)Boiling Point: 354.6 °C at 760 mmHg; (16)Vapour Pressure: 6.78E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1(n(c(cc1)C)CCn2c(ccc2C)C)C
(2) InChI: InChI=1/C14H20N2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h5-8H,9-10H2,1-4H3
(3) InChIKey: IJEADVGVBNZPPY-UHFFFAOYAY