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| CAS No.: | 110-31-6 |
|---|---|
| Name: | N,N'-ETHYLENEBISOLEAMIDE |
| Molecular Structure: | |
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| Formula: | C38H72N2O2 |
| Molecular Weight: | 589.002 |
| Synonyms: | 9-Octadecenamide,N,N'-1,2-ethanediylbis-, (Z,Z)-;Oleamide, N,N'-ethylenebis- (7CI,8CI);AD 281;Alflow AD 281;Crodamide EBO;Ethylene bis(oleamide);Ethylene bisoleylamide;Glycolube VL;Itohwax J 500;Kemamide W 20;N,N'-Dioleoylethylenediamine;N,N'-Ethylenebis(oleic amide);N,N'-Ethylenebis[oleamide];N,N'-Ethylenebisoleylamide;N,N'-Ethylenedioleamide;Slipacks O;9-Octadecenamide,N,N'-1,2-ethanediylbis-, (9Z,9'Z)-; |
| EINECS: | 203-756-1 |
| Density: | 0.899 g/cm3 |
| Melting Point: | 115-118 °C(lit.) |
| Boiling Point: | 728.451 °C at 760 mmHg |
| Flash Point: | 108.908 °C |
| Appearance: | Beads |
| PSA: | 58.20000 |
| LogP: | 12.07560 |
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| Conditions | Yield |
|---|---|
| With pyridine In chloroform at 5 - 20℃; for 5.33333h; | 95% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: thionyl chloride 2: pyridine / chloroform / 5.33 h / 5 - 20 °C View Scheme |
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Specification
The N,N'-1,2-Ethanediylbis-9-octadecenamide, with the CAS registry number 110-31-6, is also known as (9Z,9'Z)-N,N'-Ethane-1,2-diylbisoctadec-9-enamide. Its EINECS number is 203-756-1. This chemical's molecular formula is C38H72N2O2 and molecular weight is 588.99. What's more, its IUPAC name is (Z)-N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadec-9-enamide.
Physical properties of N,N'-1,2-Ethanediylbis-9-octadecenamide are: (1)ACD/LogP: 13.96; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.96; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 10000000; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 33; (9)Polar Surface Area: 40.62 Å2; (10)Index of Refraction: 1.478; (11)Molar Refractivity: 185.46 cm3; (12)Molar Volume: 654.8 cm3; (13)Surface Tension: 34.2 dyne/cm; (14)Density: 0.899 g/cm3; (15)Flash Point: 108.8 °C; (16)Enthalpy of Vaporization: 106.35 kJ/mol; (17)Boiling Point: 728.5 °C at 760 mmHg; (18)Vapour Pressure: 4.47E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCNC(=O)CCCCCCCC=CCCCCCCCC
(2)Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=C\CCCCCCCC
(3)InChI: InChI=1S/C38H72N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b19-17-,20-18-
(4)InChIKey: OXDXXMDEEFOVHR-CLFAGFIQSA-N