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CAS No.: | 6326-88-1 |
---|---|
Name: | DODECAHYDROCARBAZOLE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C12H21N |
Molecular Weight: | 179.305 |
Synonyms: | 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole;Dodecahydrocarbazole;Einecs 228-695-8; |
EINECS: | 228-695-8 |
Density: | 0.95 g/cm3 |
Melting Point: | 65 °C |
Boiling Point: | 272.9 °C at 760 mmHg |
Flash Point: | 118.6 °C |
PSA: | 12.03000 |
LogP: | 3.03600 |
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The CAS register number of Dodecahydro-1H-carbazole is 6326-88-1. It also can be called as Dodecahydrocarbazole. The molecular formula about this chemical is C12H21N and the molecular weight is 179.3.
Physical properties about Dodecahydro-1H-carbazole are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 0.36; (3)ACD/LogD (pH 7.4): 0.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.45; (7)ACD/KOC (pH 7.4): 1.5; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 54.79 cm3; (13)Molar Volume: 188.6 cm3; (14)Polarizability: 21.72x10-24cm3; (15)Surface Tension: 32.5 dyne/cm; (16)Density: 0.95 g/cm3; (17)Flash Point: 118.6 °C; (18)Enthalpy of Vaporization: 51.12 kJ/mol; (19)Boiling Point: 272.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00592 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1,2,3,4,5,6,7,8-octahydro-carbazole. This reaction will need reagent of Zn, cupric chloride, sat. ethanolic HCl and solvent of diethyl ether. The reaction temperature is 0 °C. The yield is about 51%.
You can still convert the following datas into molecular structure:
(1)SMILES: N2C1CCCCC1C3C2CCCC3
(2)InChI: InChI=1/C12H21N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h9-13H,1-8H2
(3)InChIKey: SBVSDAFTZIVQEI-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H21N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h9-13H,1-8H2
(5)Std. InChIKey: SBVSDAFTZIVQEI-UHFFFAOYSA-N