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CAS 143314-14-1 1-Ethyl-3-methylimidazolium Nitrate molecular structure lightbox
CAS RN: 143314-14-1

1-Ethyl-3-methylimidazolium Nitrate

  • Product code: SSC-054705
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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: 5g
  • 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 143314-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

143314-14-1 / 1-ethyl-3-methylimidazol-3-ium nitrate

Standard CAS: 143314-14-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
143314-14-1
Multi CAS
No
Molecular Formula
C6H11N3O3
Molecular Weight
173.170000
Exact Mass
173.080041
SMILES
CCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-]
InChI
InChI=1S/C6H11N2.NO3/c1-3-8-5-4-7(2)6-8;2-1(3)4/h4-6H,3H2,1-2H3;/q+1;-1
InChIKey
JDOJFSVGXRJFLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.64
TPSA
75.01

LogP / Solubility

WLOGP
0.09
MLOGP
0.08
XLogP3
0.09
Consensus LogP
0.09
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.71

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)
Oxidizer Irritant
Signal
Danger
GHS Hazard Statements
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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