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| CAS No.: | 58493-49-5 |
|---|---|
| Name: | OLVANIL |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C26H43NO3 |
| Molecular Weight: | 417.632 |
| Synonyms: | 9-Octadecenamide,N-[(4-hydroxy-3-methoxyphenyl)methyl]-, (Z)-;N-Vanillyl oleic amide;N-Vanillyloleamide;N-((4-Hydroxy-3-methoxyphenyl)methyl)-9-octadecenamide (Z)-; |
| Density: | 0.982 g/cm3 |
| Melting Point: | 36 °C |
| Boiling Point: | 596.1 °C at 760 mmHg |
| Flash Point: | 314.3 °C |
| PSA: | 58.56000 |
| LogP: | 7.44540 |
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- Total:9 Page 1 of 1 1
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Specification
The CAS registry number of 9-Octadecenamide,N-[(4-hydroxy-3-methoxyphenyl)methyl]-, (9Z)- is 58493-49-5. In addition, the molecular formula is C26H43NO3 and the molecular weight is 417.62. The IUPAC name is (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 9-Octadecenamide,N-[(4-hydroxy-3-methoxyphenyl)methyl]-, (9Z)- are: (1)ACD/LogP: 7.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.69; (4)ACD/LogD (pH 7.4): 7.69; (5)ACD/BCF (pH 5.5): 413882.06; (6)ACD/BCF (pH 7.4): 412078.75; (7)ACD/KOC (pH 5.5): 364859.53; (8)ACD/KOC (pH 7.4): 363269.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 126.8 cm3; (15)Molar Volume: 424.8 cm3; (16)Polarizability: 50.26 ×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 0.982 g/cm3; (19)Flash Point: 314.3 °C; (20)Enthalpy of Vaporization: 92.09 kJ/mol; (21)Boiling Point: 596.1 °C at 760 mmHg; (22)Vapour Pressure: 8.33E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1cc(OC)c(O)cc1)CCCCCCC\C=C/CCCCCCCC
(2)Std.InChI: InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
(3)Std.InChIKey: OPZKBPQVWDSATI-KHPPLWFESA-N