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CAS 143314-17-4 1-Ethyl-3-methylimidazolium Acetate molecular structure lightbox
CAS RN: 143314-17-4

1-Ethyl-3-methylimidazolium Acetate

  • Product code: SSC-054707
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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: 100g
  • 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 143314-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

143314-17-4 / 1-ethyl-3-methylimidazol-3-ium acetate

Standard CAS: 143314-17-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143314-17-4
Multi CAS
No
Molecular Formula
C8H14N2O2
Molecular Weight
170.210000
Exact Mass
170.105528
SMILES
CCN1C=C[N+](=C1)C.CC(=O)[O-]
InChI
InChI=1S/C6H11N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
InChIKey
XIYUIMLQTKODPS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.96
TPSA
48.94

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-0.91
Consensus LogP
-0.88
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (98.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501

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