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| CAS No.: | 166100-39-6 |
|---|---|
| Name: | O-689 |
| Molecular Structure: | |
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| Formula: | C23H38FNO |
| Molecular Weight: | 363.55 |
| Synonyms: | (+/-)-N-(2-FLUOROETHYL)-2-METHYL-5Z,8Z,11Z,14Z-EICOSATETRAENAMIDE;O-689;(+/-)-2-METHYLARACHIDONOYL-2-FLUOROETHYLAMIDE;(+/-)-2-METHYLARACHIDONYL-2-FLUOROETHYLAMIDE;2-METHYL-2-FLUORO AEA;F-2-ME-AN;FLUOROMETHANANDAMIDE;(+/-)-2-METHYLARACHIDONOLY-2*-FLUOROETHYLAMIDE |
| EINECS: | 200-578-6 |
| Density: | 0.921g/cm3 |
| Boiling Point: | 503.6 °C at 760 mmHg |
| Flash Point: | 258.4 °C |
| Hazard Symbols: | R11-36/37/38:; |
| Risk Codes: | 11-36/37/38 |
| Safety: | 7-16-26-36 |
| Transport Information: | UN 1170 |
| PSA: | 29.10000 |
| LogP: | 6.85470 |
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Specification
The 5,8,11,14-Eicosatetraenamide, N-(2-fluoroethyl)-2-methyl-, (5Z,8Z,11Z,14Z)-, with CAS registry number 166100-39-6, has the systematic name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide. This chemical should be stored at the temperature of -20°C. And the chemical formula of this chemical is C23H38FNO.
Physical properties of 5,8,11,14-Eicosatetraenamide, N-(2-fluoroethyl)-2-methyl-, (5Z,8Z,11Z,14Z)-: (1)ACD/LogP: 6.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.93; (4)ACD/LogD (pH 7.4): 6.93; (5)ACD/BCF (pH 5.5): 108059.46; (6)ACD/BCF (pH 7.4): 108059.46; (7)ACD/KOC (pH 5.5): 139532.16; (8)ACD/KOC (pH 7.4): 139532.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 112.58 cm3; (15)Molar Volume: 394.4 cm3; (16)Polarizability: 44.63×10-24cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.921 g/cm3; (19)Flash Point: 258.4 °C; (20)Enthalpy of Vaporization: 77.29 kJ/mol; (21)Boiling Point: 503.6 °C at 760 mmHg; (22)Vapour Pressure: 2.86E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5,8,11,14-Eicosatetraenamide, N-(2-fluoroethyl)-2-methyl-, (5Z,8Z,11Z,14Z)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, this chemical is highly flammable, so keep it away from sources of ignition. And you should keep its container tightly closed.
You can still convert the following datas into molecular structure:
(1)SMILES: FCCNC(=O)C(CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C
(2)InChI: InChI=1/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
(3)InChIKey: HMMNZALKMVCHHZ-ZKWNWVNEBO
(4)Std. InChI: InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
(5)Std. InChIKey: HMMNZALKMVCHHZ-ZKWNWVNESA-N