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| CAS No.: | 111-58-0 |
|---|---|
| Name: | N-Oleoylethanolamine |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C20H39NO2 |
| Molecular Weight: | 325.535 |
| Synonyms: | 9-Octadecenamide,N-(2-hydroxyethyl)-, (Z)-;Oleamide, N-(2-hydroxyethyl)- (6CI,7CI,8CI);AM3101;N-(2-Hydroxyethyl)oleamide;N-Oleoyl-2-aminoethanol;N-Oleoylethanolamine;Oleamide MEA;Oleic acid ethanolamide;Oleic acidmonoethanolamide;Oleoylethanolamide;N-(2-Hydroxyethyl)-9-octadecenamide; |
| EINECS: | 203-884-8 |
| Density: | 0.915 g/cm3 |
| Melting Point: | 50-60oC |
| Boiling Point: | 496.35 °C at 760 mmHg |
| Flash Point: | 253.984 °C |
| Appearance: | white to off-white solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 49.33000 |
| LogP: | 5.52330 |
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Specification
The N-Oleoylethanolamine, with the CAS registry number 111-58-0, is also known as Oleic acidmonoethanolamide. It belongs to the product categories of Fluorobenzene; Intracellular receptor. Its EINECS number is 203-884-8. This chemical's molecular formula is C20H39NO2 and molecular weight is 325.53. What's more, its systematic name is (9Z)-N-(2-Hydroxyethyl)-9-octadecenamide. Its classification code is Enzyme inhibitors. This chemical is a kind of ceramidase inhibitor.
Physical properties of N-Oleoylethanolamine are: (1)ACD/LogP: 6.406; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.41; (4)ACD/LogD (pH 7.4): 6.41; (5)ACD/BCF (pH 5.5): 43512.27; (6)ACD/BCF (pH 7.4): 43512.27; (7)ACD/KOC (pH 5.5): 72761.44; (8)ACD/KOC (pH 7.4): 72761.44; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 99.923 cm3; (15)Molar Volume: 355.727 cm3; (16)Polarizability: 39.613×10-24cm3; (17)Surface Tension: 34.93 dyne/cm; (18)Density: 0.915 g/cm3; (19)Flash Point: 253.984 °C; (20)Enthalpy of Vaporization: 88.007 kJ/mol; (21)Boiling Point: 496.35 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCO)CCCCCCC\C=C/CCCCCCCC
(2)Std. InChI: InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
(3)Std. InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N