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The 1H-Pyrrole,3,4-diethyl-, with the CAS registry number 16200-52-5, is also known as 3,4-Diethylpyrrole. It belongs to the product categories of Porphyrin Building Blocks; Porphyrins. This chemical's molecular formula is C8H13N and molecular weight is 123.2. Its systematic name is called 3,4-diethyl-1H-pyrrole.
Physical properties of 1H-Pyrrole,3,4-diethyl-: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 70; (5)ACD/BCF (pH 7.4): 70; (6)ACD/KOC (pH 5.5): 726; (7)ACD/KOC (pH 7.4): 731; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 39.785 cm3; (13)Molar Volume: 133.39 cm3; (14)Surface Tension: 33.15 dyne/cm; (15)Density: 0.924 g/cm3; (16)Flash Point: 66.425 °C; (17)Enthalpy of Vaporization: 40.273 kJ/mol; (18)Boiling Point: 183.704 °C at 760 mmHg; (19)Vapour Pressure: 1.039 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cn1)CC)CC
(2)InChI: InChI=1/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3
(3)InChIKey: XMYRJQYUMXCUNX-UHFFFAOYAJ