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CAS No.: | 10574-01-3 |
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Name: | (Z)-N-isopropyl-9-octadecenamide |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C21H41NO |
Molecular Weight: | 323.563 |
Synonyms: | 9-Octadecenamide,N-(1-methylethyl)-,(Z)-;9-Octadecenamide,N-isopropyl-,(Z)- (8CI);Oleamide,N-isopropyl-(7CI);N-Isopropyloleamide; |
EINECS: | 234-161-5 |
Density: | 0.862 g/cm3 |
Boiling Point: | 461.6 °C at 760 mmHg |
Flash Point: | 288 °C |
PSA: | 32.59000 |
LogP: | 7.38880 |
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The 9-Octadecenamide,N-(1-methylethyl)-,(9Z)- with CAS registry number of 10574-01-3 is also called 9-Octadecenamide,N-isopropyl-,(Z)-(8Cl). The IUPAC name is (9Z)-N-(1-methylethyl)octadec-9-enamide. Its EINECS registry number is 234-161-5. In addition, the formula is C21H41NO and the molecular weight 323.55634.
Physical properties about this chemical are: (1)ACD/LogP: 7.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.81; (4)ACD/LogD (pH 7.4): 7.81; (5)ACD/BCF (pH 5.5): 509529.72; (6)ACD/BCF (pH 7.4): 509530.28; (7)ACD/KOC (pH 5.5): 423412.19; (8)ACD/KOC (pH 7.4): 423412.66; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 102.98 cm3; (15)Molar Volume: 375.1 cm3; (16)Polarizability: 40.82 ×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 288 °C; (20)Enthalpy of Vaporization: 72.25 kJ/mol; (21)Boiling Point: 461.6 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C)C)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3,(H,22,23)/b12-11-
(3)InChIKey: FJMNGVBYKSEJNP-QXMHVHEDBJ