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| CAS No.: | 1483-97-2 |
|---|---|
| Name: | 3,6-Diacetyl-9-ethyl-9H-carbazole |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C18H17NO2 |
| Molecular Weight: | 279.338 |
| Synonyms: | 3,6-Diacetyl-9-ethyl carbazole; |
| Density: | 1.16 g/cm3 |
| Boiling Point: | 417.2 °C at 760 mmHg |
| Flash Point: | 206.1 °C |
| PSA: | 39.07000 |
| LogP: | 4.21960 |
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Specification
The 3, 6-Diacetyl-9-ethyl-9H-carbazole, with the CAS registry number 1483-97-2, is also known as 3, 6-Diacetyl-9-ethyl carbazole. This chemical's molecular formula is C18H17NO2 and molecular weight is 279.33. What's more, its systematic name is 1, 1'-(9-Ethyl-9H-carbazole-3, 6-diyl)diethanone.
Physical properties about 3, 6-Diacetyl-9-ethyl-9H-carbazole are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 231.82; (6)ACD/BCF (pH 7.4): 231.82; (7)ACD/KOC (pH 5.5): 1716.23; (8)ACD/KOC (pH 7.4): 1716.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.07 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 82.95 cm3; (15)Molar Volume: 239.5 cm3; (16)Polarizability: 32.88×10-24 cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 206.1 °C; (20)Enthalpy of Vaporization: 67.06 kJ/mol; (21)Boiling Point: 417.2 °C at 760 mmHg; (22)Vapour Pressure: 3.6E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c3cc2c1cc(ccc1n(c2cc3)CC)C(=O)C)C
(2) InChI: InChI=1/C18H17NO2/c1-4-19-17-7-5-13(11(2)20)9-15(17)16-10-14(12(3)21)6-8-18(16)19/h5-10H,4H2,1-3H3
(3) InChIKey: RIRBXBVFZCKFNX-UHFFFAOYAE