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110-31-6

Basic Information
CAS No.: 110-31-6
Name: N,N'-ETHYLENEBISOLEAMIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 110-31-6 (N,N'-ETHYLENEBISOLEAMIDE)
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
Synthetic route
112-77-6

(Z)-9-octadecenoyl chloride

107-15-3

ethylenediamine

110-31-6

N,N'-ethylene-bis-oleamide

Conditions
ConditionsYield
With pyridine In chloroform at 5 - 20℃; for 5.33333h;95%
112-80-1

cis-Octadecenoic acid

110-31-6

N,N'-ethylene-bis-oleamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride
2: pyridine / chloroform / 5.33 h / 5 - 20 °C
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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