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6-Ethylindole

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Name

6-Ethylindole

EINECS N/A
CAS No. 4765-24-6 Density 1.078 g/cm3
PSA 15.79000 LogP 2.73030
Solubility N/A Melting Point N/A
Formula C10H11N Boiling Point 281.88 °C at 760 mmHg
Molecular Weight 145.201 Flash Point 119.876 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4765-24-6 (6-Ethylindole) Hazard Symbols N/A
Synonyms

1H-Indole, 6-ethyl-;

 

6-Ethylindole Specification

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

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