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| CAS No.: | 251908-92-6 |
|---|---|
| Name: | AM1172 |
| Molecular Structure: | |
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| Formula: | C27H39NO2 |
| Molecular Weight: | 409.60 |
| Synonyms: | 4-Hydroxy-N-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraen-1-yl]benzamide;Benzamide, N-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenyl-4-hydroxy- (9CI); |
| Density: | 0.984 g/cm3 |
| Boiling Point: | 590.777 °C at 760 mmHg |
| Flash Point: | 311.091 °C |
| PSA: | 49.33000 |
| LogP: | 7.65860 |
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Specification
The N-5Z,8Z,11Z,14Z-Eicosatetraenyl-4-hydroxy-benzamide, with the CAS registry number 251908-92-6, is also known as Benzamide, N-[(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraen-1-yl]-4-hydroxy-. This chemical's molecular formula is C27H39NO2 and molecular weight is 409.60. What's more, its systematic name is called 4-Hydroxy-N-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraen-1-yl]benzamide.
Physical properties about N-5Z,8Z,11Z,14Z-Eicosatetraenyl-4-hydroxy-benzamide are: (1)ACD/LogP: 8.449; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.45; (4)ACD/LogD (pH 7.4): 8.41; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 939020.00; (8)ACD/KOC (pH 7.4): 848868.90; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 130.013 cm3; (15)Molar Volume: 416.296 cm3; (16)Surface Tension: 38.98 dyne/cm; (17)Density: 0.984 g/cm3; (18)Flash Point: 311.091 °C; (19)Enthalpy of Vaporization: 91.393 kJ/mol; (20)Boiling Point: 590.777 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(O)cc1)NCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
(2) InChI: InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-27(30)25-20-22-26(29)23-21-25/h6-7,9-10,12-13,15-16,20-23,29H,2-5,8,11,14,17-19,24H2,1H3,(H,28,30)/b7-6-,10-9-,13-12-,16-15-
(3) InChIKey: XCWBOAHOJHPWLA-DOFZRALJSA-N