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CAS No.: | 83024-92-4 |
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Name: | LEUKOTRIENE B4 DIMETHYL AMIDE |
Molecular Structure: | |
Formula: | C22H37NO3 |
Molecular Weight: | 363.5341 |
Synonyms: | 6,8,10,14-Eicosatetraenamide,5,12-dihydroxy-N,N-dimethyl-, [S-[R*,S*-(E,Z,E,Z)]]-;LTB4-dimethylamide;Leukotriene B4 dimethylamide;(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide; |
Density: | 0.992 g/cm3 |
Boiling Point: | 536.3 °C at 760 mmHg |
Flash Point: | 278.2 °C |
Appearance: | Clear, colorless Oil |
PSA: | 60.77000 |
LogP: | 4.16190 |
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The 6,8,10,14-Eicosatetraenamide,5,12-dihydroxy-N,N-dimethyl-, (5S,6Z,8E,10E,12R,14Z)-, with the CAS registry number 83024-92-4, has the systematic name of (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide. And the molecular formula of the chemical is C22H37NO3.
The characteristics of 6,8,10,14-Eicosatetraenamide,5,12-dihydroxy-N,N-dimethyl-, (5S,6Z,8E,10E,12R,14Z)- are as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 318.49; (6)ACD/BCF (pH 7.4): 318.49; (7)ACD/KOC (pH 5.5): 2154.36; (8)ACD/KOC (pH 7.4): 2154.36; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 110.94 cm3; (15)Molar Volume: 366.2 cm3; (16)Polarizability: 43.98×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 0.992 g/cm3; (19)Flash Point: 278.2 °C; (20)Enthalpy of Vaporization: 93.5 kJ/mol; (21)Boiling Point: 536.3 °C at 760 mmHg; (22)Vapour Pressure: 9.68E-14 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N(C)C)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C\C=C/CCCCC
(2)InChI: InChI=1/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3/b10-9+,11-8-,16-12+,17-13-/t20-,21-/m1/s1
(3)InChIKey: BBJRTSLPWQUASB-UKODYPNABN