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CAS 1373334-05-4 Ethyl(3-methoxypropyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 1373334-05-4

Ethyl(3-methoxypropyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-046837
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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 1373334-05-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1373334-05-4 / bis(trifluoromethylsulfonyl)azanide;ethyl-(3-methoxypropyl)-dimethylazanium

Standard CAS: 1373334-05-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1373334-05-4
Multi CAS
No
Molecular Formula
C10H20F6N2O5S2
Molecular Weight
426.400000
Exact Mass
426.071783
SMILES
CC[N+](C)(C)CCCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H20NO.C2F6NO4S2/c1-5-9(2,3)7-6-8-10-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
InChIKey
MBQXUMAOBLRIOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
77.32
TPSA
91.61

LogP / Solubility

WLOGP
2.18
MLOGP
1.94
XLogP3
2.18
Consensus LogP
2.1
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
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)
-3.77

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): 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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