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CAS No.: | 75948-77-5 |
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Name: | 4,6-DIMETHYLINDOLE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H11N |
Molecular Weight: | 145.2 |
Synonyms: | 4,6-Dimethyl-1H-indole;4,6-Dimethylindole; |
EINECS: | 200-258-5 |
Density: | 1.08 g/cm3 |
Boiling Point: | 275.282 °C at 760 mmHg |
Flash Point: | 115.996 °C |
PSA: | 15.79000 |
LogP: | 2.78470 |
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