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CAS No.: | 70858-46-7 |
---|---|
Name: | (Z)-N-methyl-9-octadecenamide |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C19H37NO |
Molecular Weight: | 295.509 |
Synonyms: | 9-Octadecenamide,N-methyl-, (Z)-;Oleamide, N-methyl- (6CI,7CI);N-Methyloleamide;Oleic acidmethylamide;(9Z)-N-methyloctadec-9-enamide;9-octadecenamide, N-methyl-, (9Z)-; |
EINECS: | 274-945-4 |
Density: | 0.864 g/cm3 |
Boiling Point: | 439.8 °C at 760 mmHg |
Flash Point: | 273.3 °C |
PSA: | 29.10000 |
LogP: | 6.16080 |
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The 9-Octadecenamide,N-methyl-, (9Z)-, with the CAS registry number 70858-46-7 and EINECS registry number 274-945-4, has the systematic name (9Z)-N-methyloctadec-9-enamide. And the molecular formula of this chemical is C19H37NO. In addition, its IUPAC name is (Z)-N-methyloctadec-9-enamide.
The physical properties of 9-Octadecenamide,N-methyl-, (9Z)- are as following: (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): 109477.47; (6)ACD/BCF (pH 7.4): 109477.59; (7)ACD/KOC (pH 5.5): 140840.45; (8)ACD/KOC (pH 7.4): 140840.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 93.75 cm3; (15)Molar Volume: 341.7 cm3; (16)Polarizability: 37.16×10-24cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.864 g/cm3; (19)Flash Point: 273.3 °C; (20)Enthalpy of Vaporization: 69.68 kJ/mol; (21)Boiling Point: 439.8 °C at 760 mmHg; (22)Vapour Pressure: 6.2E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CNC(=O)CCCCCCC/C=C\CCCCCCCC
(2)InChI: InChI=1/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)/b11-10-
(3)InChIKey: NJNFUPWMCKHLRE-KHPPLWFEBZ