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| CAS No.: | 996-97-4 |
|---|---|
| Name: | N,N-diethyloctanamide |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C12H25NO |
| Molecular Weight: | 199.337 |
| Synonyms: | Caprylicacid diethylamide;N,N-Diethylcaprylamide;N,N-Diethyloctamide;N,N-Diethyloctanamide;NSC 3916;Repellent 790; |
| EINECS: | 213-639-7 |
| Density: | 0.862 g/cm3 |
| Boiling Point: | 259.6 °C at 760 mmHg |
| Flash Point: | 97.1 °C |
| Appearance: | colorless transparent liquid |
| PSA: | 20.31000 |
| LogP: | 3.21530 |
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Specification
This chemical is called N,N-Diethyloctanamide, and it can also be named as Caprylic acid diethylamide. With the molecular formula of C12H25NO, its molecular weight is 199.33. The CAS registry number of this chemical is 996-97-4.
Other characteristics of the N,N-Diethyloctanamide can be summarised as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 271.26; (6)ACD/BCF (pH 7.4): 271.26; (7)ACD/KOC (pH 5.5): 1920.53; (8)ACD/KOC (pH 7.4): 1920.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 61.39 cm3; (15)Molar Volume: 230.9 cm3; (16)Polarizability: 24.33×10-24cm3; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 97.1 °C; (20)Enthalpy of Vaporization: 49.72 kJ/mol; (21)Boiling Point: 259.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0128 mmHg at 25°C.
Uses of this chemical: The N,N-Diethyloctanamide could react with octan-1-ol, and obtain the octanal. This reaction needs the reagent of LiAlH(i-Bu)2(n-Bu), and the solvent of tetrahydrofuran, hexane. The yield is 90 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(N(CC)CC)CCCCCCC
2.InChI: InChI=1/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3
3.InChIKey: FHJRFIYKPIXQNQ-UHFFFAOYAX