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| CAS No.: | 2051-28-7 |
|---|---|
| Name: | Decahydroquinoline |
| Article Data: | 71 |
| Molecular Structure: | |
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|
|
| Formula: | C9H17N |
| Molecular Weight: | 139.241 |
| Synonyms: | 2-Azabicyclo[4.4.0]decane;Perhydroquinoline; |
| EINECS: | 218-116-7 |
| Density: | 0.901 g/cm3 |
| Melting Point: | 37.5-45 °C |
| Boiling Point: | 201 °C at 760 mmHg |
| Flash Point: | 68.3 °C |
| Appearance: | clear colorless to light yellow low melting solid |
| Hazard Symbols: |
 Xi,  N,  Xn
|
| Risk Codes: | 36/37/38-51/53-22 |
| Safety: | 26-36/37/39-24/25-61 |
| Transport Information: | UN 3082 9/PG 3 |
| PSA: | 12.03000 |
| LogP: | 2.25740 |
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Specification
The Decahydroquinoline is an organic compound with the formula C9H17N. The IUPAC name of this chemical is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline. With the CAS registry number 2051-28-7, it is also named as Quinoline, decahydro-. The product's categories are Quinoline & Isoquinoline; Building Blocks; Heterocyclic Building Blocks; Quinolines. Besides, it is clear colorless to light yellow low melting solid, which should be stored in a closed cool and dry place.
Physical properties about Decahydroquinoline are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): -0.62; (3)ACD/LogD (pH 7.4): -0.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 42.9 cm3; (13)Molar Volume: 154.4 cm3; (14)Polarizability: 17×10-24cm3; (15)Surface Tension: 30.1 dyne/cm; (16)Density: 0.901 g/cm3; (17)Flash Point: 68.3 °C; (18)Enthalpy of Vaporization: 43.72 kJ/mol; (19)Boiling Point: 201 °C at 760 mmHg; (20)Vapour Pressure: 0.315 mmHg at 25°C.
Preparation: this chemical can be prepared by 5,6,7,8-tetrahydro-quinoline. This reaction will need reagent H2, 5 percent Rh on alumina and solvent acetic acid. The reaction time is 3 days with reaction temperature of 55 °C. The yield is about 70%.
Uses of Decahydroquinoline: it can be used to produce N-(N'-tert-butylformimidoyl)-cis-decahydroquinoline by heating. It will need reagent (NH4)2SO4 and solvent xylene with reaction time of 48 hours. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and avoid contact with skin and eyes. Please avoid release to the environment. Refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: N2C1CCCCC1CCC2
(2)InChI: InChI=1/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2
(3)InChIKey: POTIYWUALSJREP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2
(5)Std. InChIKey: POTIYWUALSJREP-UHFFFAOYSA-N