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Name |
1,3-Propanediol,2-[(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraen-1-yloxy]- |
EINECS | 200-578-6 |
CAS No. | 222723-55-9 | Density | 0.948 g/cm3 |
PSA | 49.69000 | LogP | 5.50190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C23H40O3 | Boiling Point | 488.9 °C at 760 mmHg |
Molecular Weight | 364.5619 | Flash Point | 249.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 7-16 | Risk Codes | 11 |
Molecular Structure | Hazard Symbols | F | |
Synonyms |
2-[((11Z, 14Z)-Icosa-5, 8, 11, 14-tetraenyl)oxy]-propane-1, 3-diol;2-Arachidonyl glycerol ether;Noladin ether; |
Article Data | 3 |
The 1, 3-Propanediol, 2-[(5Z, 8Z, 11Z, 14Z)-5, 8, 11, 14-eicosatetraen-1-yloxy]-, with the CAS registry number of 222723-55-9, is also known as 2-[((11Z, 14Z)-Icosa-5, 8, 11, 14-tetraenyl)oxy]-propane-1, 3-diol. It belongs to the product category of Cannabinoid Receptor. This chemical's molecular formula is C23H40O3 and molecular weight is 364.56. What's more, its IUPAC name is 2-[(5Z, 8Z, 11Z, 14Z)-Icosa-5, 8, 11, 14-tetraenoxy]propane-. In addition, this chemical may cause sedation, hypothermia, intestinal immobility and mild antinociception in vivo. And this chemical may be harmful to the environment. Besides, it must be stored in airtight containers and placed in a dry, cool place at -20 °C.
Physical properties about 1, 3-Propanediol, 2-[(5Z, 8Z, 11Z, 14Z)-5, 8, 11, 14-eicosatetraen-1-yloxy]- are: (1)ACD/LogP: 6.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.69; (4)ACD/LogD (pH 7.4): 6.69; (5)ACD/BCF (pH 5.5): 71840.05; (6)ACD/BCF (pH 7.4): 71840.05; (7)ACD/KOC (pH 5.5): 104176.05; (8)ACD/KOC (pH 7.4): 104176.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 113.6 cm3; (15)Molar Volume: 384.4 cm3; (16)Polarizability: 45.03×10-24 cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.948 g/cm3; (19)Flash Point: 249.5 °C; (20)Enthalpy of Vaporization: 86.99 kJ/mol; (21)Boiling Point: 488.9 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-11 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: OCC(OCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCCC)CO
(2) InChI: InChI=1/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
(3) InChIKey: CUJUUWXZAQHCNC-DOFZRALJBH