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[ CAS No. 171058-17-6 ] {[proInfo.proName]}

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Chemical Structure| 171058-17-6
Chemical Structure| 171058-17-6
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Dawid Zielinski ; Andrea Szpecht ; Marcin Smiglak DOI:

Abstract: composites reinforced with natural fibers are a research area that has been growing tremendously in recent years, with increasing reports providing a better understanding of the interactions within such structures, resulting in newer and more specialized applications. This article presents a comprehensive study on the design and application of (ILs) in the development of flax fiber-reinforced composites with tailored mechanical properties. Three distinct ILs, namely 1-hexyl-3-methylimidazolium dicyanamide [HMIM][DCA], 1- hexyl-1,4-diazabicyclo[2.2.2]octan-1-ium dicyanamide [DABCO-C6][DCA], and trimethyloctadecylammonium dicyanamide [N11118][DCA], were strategically engineered to incorporate longer carbon chains, with the primary objective of influencing the mechanical parameters of the resulting composites, specifically aiming for enhanced flexibility and resistance to bending and stretching. Using these designed ILs, two mixtures were developed and crafted to facilitate the effective curing of , which was examined using Differential Scanning Calorimetry (DSC). Investigation of the crosslinking process revealed that the mixtures of ILs exhibited a lower total enthalpy of thermal conversion than single-IL systems. Moreover, shifts in the polymerization onset temperatures were observed for the mixtures, with some systems displaying dual temperature peaks during crosslinking, indicative of potential parallel polymerization reactions.

Keywords: Ionic liquids ; resin ; Polymerization ; Crosslinking

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Product Details of [ 171058-17-6 ]

CAS No. :171058-17-6 MDL No. :MFCD03093289
Formula : C10H19ClN2 Boiling Point : -
Linear Structure Formula :CH3C3H3N2C6H13Cl InChI Key :NKRASMXHSQKLHA-UHFFFAOYSA-M
M.W : 202.72 Pubchem ID :2734163
Synonyms :

Calculated chemistry of [ 171058-17-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.7
Num. rotatable bonds : 5
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 59.17
TPSA : 8.81 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : -3.06
Log Po/w (XLOGP3) : 3.21
Log Po/w (WLOGP) : -1.1
Log Po/w (MLOGP) : 1.92
Log Po/w (SILICOS-IT) : 1.6
Consensus Log Po/w : 0.51

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.07
Solubility : 0.171 mg/ml ; 0.000844 mol/l
Class : Soluble
Log S (Ali) : -3.07
Solubility : 0.174 mg/ml ; 0.000857 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.38
Solubility : 0.847 mg/ml ; 0.00418 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77

Safety of [ 171058-17-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P332+P313-P337+P313-P362+P364 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:
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