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CAS 174899-90-2 1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 174899-90-2

1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-076718
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 174899-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

174899-90-2 / bis(trifluoromethylsulfonyl)azanide;1-ethyl-2,3-dimethylimidazol-3-ium

Standard CAS: 174899-90-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
174899-90-2
Multi CAS
No
Molecular Formula
C9H13F6N3O4S2
Molecular Weight
405.300000
Exact Mass
405.025167
SMILES
CCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H13N2.C2F6NO4S2/c1-4-9-6-5-8(3)7(9)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6H,4H2,1-3H3;/q+1;-1
InChIKey
XDJYSDBSJWNTQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.33
TPSA
91.19

LogP / Solubility

WLOGP
1.7
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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