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909891-90-3

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Basic Information
CAS No.: 909891-90-3
Name: (Z)-(S)-N-((2-Hydroxy-1-methyl)ethyl)-9-octadecenamide
Article Data: 5
Molecular Structure:
Molecular Structure of 909891-90-3 ((Z)-(S)-N-((2-Hydroxy-1-methyl)ethyl)-9-octadecenamide)
Formula: C21H41NO2.
Molecular Weight: 339.562
Synonyms: (Z)-(S)-N-((2-HYDROXY-1-METHYL)ETHYL)-9-OCTADECENAMIDE;(9Z)-N-[(1S)-2-Hydroxy-1-methylethyl]-9-octadecenamide;(Z)-(S)-9-Octadecenamide,N-((2-hydroxy-1-methyl) ethyl);9-Octadecenamide, N-[(1S)-2-hydroxy-1-methylethyl]-, (9Z)-;(Z)-(S)-N-((2-Hydrox;(S)-N-(1-Hydroxypropan-2-yl)oleamide
Density: 0.911
Melting Point: 39-40 °C
Boiling Point: 503.6 °C at 760 mmHg
Flash Point: 258.4 °C
PSA: 49.33000
LogP: 5.91180
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Specification

The (Z)-(S)-N-((2-Hydroxy-1-methyl)ethyl)-9-octadecenamide, with the cas registry number 909891-90-3, has the systematic name of (Z)-N-[(1S)-2-hydroxy-1-methyl-ethyl]octadec-9-enamide. Its molecular fomula is C21H41NO2.

The characteristics of this chemical are as followings: (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)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 18; (8)Polar Surface Area: 49.33 Å2; (9)Index of Refraction: 1.472; (10)Molar Refractivity: 104.51 cm3; (11)Molar Volume: 372.6 cm3; (12)Polarizability: 41.43×10-24cm3; (13)Surface Tension: 34.3 dyne/cm; (14)Density: 0.911 g/cm3; (15)Flash Point: 258.4 °C; (16)Enthalpy of Vaporization: 88.99 kJ/mol; (17)Boiling Point: 503.6 °C at 760 mmHg; (18)Vapour Pressure: 2.99E-12 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C[C@H](NC(=O)CCCCCCC/C=C\CCCCCCCC)CO
(2)InChI: InChI=1/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-20(2)19-23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10-/t20-/m0/s1
(3)InChIKey: IPVYNYWIRWMRHH-PISNEZEABC