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63441-26-9

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Basic Information
CAS No.: 63441-26-9
Name: (Z,Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-9-octadecenamide
Molecular Structure:
Molecular Structure of 63441-26-9 ((Z,Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-9-octadecenamide)
Formula: C40H75N3O
Molecular Weight: 614.043
Synonyms: 9-Octadecenamide,N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]-, (Z,Z)-;9-Octadecenamide,N-[2-[2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl]ethyl]-, (9Z)- (9CI);(9Z)-N-(2-{2-[(8Z)-Heptadec-8-en-1-yl]-4, 5-dihydro-1H-imidazol-1-yl}ethyl)octadec-9-enamide;
EINECS: 264-147-4
Density: 0.92 g/cm3
Boiling Point: 730.7 °C at 760 mmHg
Flash Point: 395.7 °C
PSA: 48.19000
LogP: 12.10550
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Specification

The 9-Octadecenamide, N-[2-[2-(8Z)-8-heptadecen-1-yl-4, 5-dihydro-1H-imidazol-1-yl]ethyl]-, (9Z)-, with the CAS registry number 63441-26-9, is also known as (9Z)-N-(2-{2-[(8Z)-Heptadec-8-en-1-yl]-4, 5-dihydro-1H-imidazol-1-yl}ethyl)octadec-9-enamide. This chemical's molecular formula is C40H75N3O and molecular weight is 614.043. What's more, its IUPAC name is (Z)-N-[2-[2-[(Z)-Heptadec-8-enyl]-4, 5-dihydroimidazol-1-yl]ethyl]octadec-9-enamide.

Physical properties about 9-Octadecenamide, N-[2-[2-(8Z)-8-heptadecen-1-yl-4, 5-dihydro-1H-imidazol-1-yl]ethyl]-, (9Z)- are: (1)ACD/LogP: 15.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.68; (4)ACD/LogD (pH 7.4): 13.71; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 33; (12)Polar Surface Area: 35.91 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 194.9 cm3; (15)Molar Volume: 662.6 cm3; (16)Polarizability: 77.26×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 395.7 °C; (20)Enthalpy of Vaporization: 106.65 kJ/mol; (21)Boiling Point: 730.7 °C at 760 mmHg; (22)Vapour Pressure: 3.3E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCN1\C(=N/CC1)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCCCC
(2) InChI: InChI=1/C40H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3,(H,42,44)/b19-17-,20-18-
(3) InChIKey: VASZKKUIFVKZER-CLFAGFIQBB