Products Categories
CAS No.: | 4765-24-6 |
---|---|
Name: | 6-Ethylindole |
Molecular Structure: | |
Formula: | C10H11N |
Molecular Weight: | 145.201 |
Synonyms: | 1H-Indole, 6-ethyl-; |
Density: | 1.078 g/cm3 |
Boiling Point: | 281.88 °C at 760 mmHg |
Flash Point: | 119.876 °C |
PSA: | 15.79000 |
LogP: | 2.73030 |
The 6-Ethylindole, with the CAS registry number 4765-24-6, is also known as 1H-Indole, 6-ethyl-. This chemical's molecular formula is C10H11N and molecular weight is 145.201. What's more, both its IUPAC name and systematic name are the same which is called 6-Ethyl-1H-indole.
Physical properties about 6-Ethylindole are: (1)ACD/LogP: 3.64; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 142; (6)ACD/BCF (pH 7.4): 142; (7)ACD/KOC (pH 5.5): 1207; (8)ACD/KOC (pH 7.4): 1207; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 48.078 cm3; (15)Molar Volume: 134.689 cm3; (16)Surface Tension: 44.211 dyne/cm; (17)Density: 1.078 g/cm3; (18)Flash Point: 119.876 °C; (19)Enthalpy of Vaporization: 49.979 kJ/mol; (20)Boiling Point: 281.88 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCc1ccc2ccnc2c1
(2) InChI: InChI=1/C10H11N/c1-2-8-3-4-9-5-6-11-10(9)7-8/h3-7,11H,2H2,1H3
(3) InChIKey: NLAHUZMFMIIFDE-UHFFFAOYAQ