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10094-45-8

Basic Information
CAS No.: 10094-45-8
Name: 13-Docosenamide,N-octadecyl-, (13Z)-
Molecular Structure:
Molecular Structure of 10094-45-8 (13-Docosenamide,N-octadecyl-, (13Z)-)
Formula: C40H79NO
Molecular Weight: 590.06136
Synonyms: 13-Docosenamide,N-octadecyl-, (Z)- (8CI);(Z)-N-Octadecyl-13-docosenamide;HTSA 3;Kemamide E180;Lutamide S 98;N-Stearyl-(13Z)-13-docosenamide;N-Stearylerucamide;NikkaAmide SE;SNT;SNT (amide);SNT 40;Stearyl erucamide;
EINECS: 233-226-5
Density: 0.857 g/cm3
Melting Point: 70℃
Boiling Point: 671.6 °C at 760 mmHg
Flash Point: 417.4 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 29.10000
LogP: 14.35290
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Specification

The 13-Docosenamide,N-octadecyl-, (13Z)-, with its CAS registry number 10094-45-8, has the systematic name of (13Z)-N-octadecyldocos-13-enamide. And it has the molecular formula of C40H79NO and the molecular weight of 590.06136. When store it, keep it in the cool, dry and well-ventilated place.

The characteristics of 13-Docosenamide,N-octadecyl-, (13Z)- are as follows: (1)ACD/LogP: 18.09; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 18.09; (4)ACD/LogD (pH 7.4): 18.09; (5)ors: 2  #H bond donors: 1; (6)#Freely Rotating Bonds: 36; (7)Polar Surface Area: 20.31 Å2; (8)Index of Refraction: 1.467; (9)Molar Refractivity: 191.04 cm3; (10)Molar Volume: 688.3 cm3; (11)Polarizability: 75.73×10-24cm3; (12)Surface Tension: 32.5 dyne/cm; (13)Density: 0.857 g/cm3; (14)Flash Point: 417.4 °C; (15)Enthalpy of Vaporization: 98.67 kJ/mol; (16)Boiling Point: 671.6 °C at 760 mmHg; (17)Vapour Pressure: 6.68E-18 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(NCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC\C=C/CCCCCCCC
(2)InChI:InChI=1/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-
(3)InChIKey:FUSNPOOETKRESL-ZPHPHTNEBH
(4)Std. InChI:InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-
(5)Std. InChIKey:FUSNPOOETKRESL-ZPHPHTNESA-N