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CAS No.: | 111-05-7 |
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Name: | OLEIC ACID MONOISOPROPANOLAMIDE |
Molecular Structure: | |
Formula: | C21H41NO2 |
Molecular Weight: | 339.562 |
Synonyms: | 9-Octadecenamide,N-(2-hydroxypropyl)-,(Z)-;Oleamide,N-(2-hydroxypropyl)-(6CI,8CI);N-(2-Hydroxypropyl)oleamide;Oleamide MIPA;Oleic acid isopropanolamide;Oleicmonoisopropanolamide;Oleylmonoisopropanolamide;Steinamid IPE 280;Witcamide61; |
EINECS: | 203-828-2 |
Density: | 0.911 g/cm3 |
Boiling Point: | 503.6 °C at 760 mmHg |
Flash Point: | 258.4 °C |
Solubility: | 1mg/L at 20℃ |
PSA: | 52.82000 |
LogP: | 6.36120 |
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The 9-Octadecenamide,N-(2-hydroxypropyl)-,(9Z)- with CAS registry number of 111-05-7 is also called N-(2-Hydroxypropyl)oleamide. The IUPAC name is (9Z)-N-(2-hydroxypropyl)octadec-9-enamide. Its EINECS registry number is 203-828-2. In addition, the formula is C21H41NO2 and the molecular weight is 339.55574.
Physical properties about this chemical are: (1)ACD/LogP: 6.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.71; (4)ACD/LogD (pH 7.4): 6.71; (5)ACD/BCF (pH 5.5): 73710.42; (6)ACD/BCF (pH 7.4): 73710.42; (7)ACD/KOC (pH 5.5): 106110.36; (8)ACD/KOC (pH 7.4): 106110.36; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 104.51 cm3; (15)Molar Volume: 372.6 cm3; (16)Polarizability: 41.43 ×10-24cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.911 g/cm3; (19)Flash Point: 258.4 °C; (20)Enthalpy of Vaporization: 88.99 kJ/mol; (21)Boiling Point: 503.6 °C at 760 mmHg; (22)Vapour Pressure: 2.99E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(O)C)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10-
(3)InChIKey: UDZAXLGLNUMCRX-KHPPLWFEBB