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4,6-Dimethylindole

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Name

4,6-Dimethylindole

EINECS 200-258-5
CAS No. 75948-77-5 Density 1.08 g/cm3
PSA 15.79000 LogP 2.78470
Solubility N/A Melting Point N/A
Formula C10H11N Boiling Point 275.282 °C at 760 mmHg
Molecular Weight 145.2 Flash Point 115.996 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 75948-77-5 (4,6-DIMETHYLINDOLE) Hazard Symbols N/A
Synonyms

4,6-Dimethyl-1H-indole;4,6-Dimethylindole;

Article Data 1

4,6-Dimethylindole Specification

The 4,6-Dimethylindole with the CAS number 75948-77-5 is also called 1H-Indole,4,6-dimethyl-. The systematic name is 4,6-dimethyl-1H-indole. Its molecular formula is C10H11N. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4,6-Dimethylindole are: (1)ACD/LogP: 3.09; (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): 125; (6)ACD/BCF (pH 7.4): 125; (7)ACD/KOC (pH 5.5): 1104; (8)ACD/KOC (pH 7.4): 1104; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 48.178 cm3; (15)Molar Volume: 134.422 cm3; (16)Polarizability: 19.099×10-24cm3; (17)Surface Tension: 43.896 dyne/cm; (18)Enthalpy of Vaporization: 49.306 kJ/mol; (19)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(cc(cc2c1ccn2)C)C
(2)InChI: InChI=1/C10H11N/c1-7-5-8(2)9-3-4-11-10(9)6-7/h3-6,11H,1-2H3
(3)InChIKey: WUCQJZHJZJSFLU-UHFFFAOYAB

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