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CAS No.: | 18190-74-4 |
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Name: | (Z)-N-(2-hydroxyethyl)docos-13-enamide |
Molecular Structure: | |
Formula: | C24H47NO2 |
Molecular Weight: | 381.643 |
Synonyms: | 13-Docosenamide,N-(2-hydroxyethyl)-, (Z)- (8CI);N-(2-Hydroxyethyl)erucamide; |
EINECS: | 242-080-1 |
Density: | 0.904 g/cm3 |
Boiling Point: | 533.1 °C at 760 mmHg |
Flash Point: | 276.2 °C |
PSA: | 49.33000 |
LogP: | 7.08370 |
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The 13-Docosenamide,N-(2-hydroxyethyl)-, (13Z)-, with the CAS registry number 18190-74-4, is also known as (13Z)-N-(2-Hydroxyethyl)docos-13-enamide. Its EINECS registry number is 242-080-1. This chemical's molecular formula is C24H47NO2 and molecular weight is 381.63548. What's more, its IUPAC name is called (Z)-N-(2-Hydroxyethyl)docos-13-enamide.
Physical properties about 13-Docosenamide,N-(2-hydroxyethyl)-, (13Z)- are: (1)ACD/LogP: 8.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.49; (4)ACD/LogD (pH 7.4): 8.49; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 983996.06; (8)ACD/KOC (pH 7.4): 983996.06; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 118.45 cm3; (15)Molar Volume: 421.7 cm3; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 0.904 g/cm3; (18)Flash Point: 276.2 °C; (19)Enthalpy of Vaporization: 93.05 kJ/mol; (20)Boiling Point: 533.1 °C at 760 mmHg; (21)Vapour Pressure: 1.37E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCO)CCCCCCCCCCC\C=C/CCCCCCCC
(2) InChI: InChI=1/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
(3) InChIKey: UGYSMGXRWBTMRZ-KTKRTIGZBQ