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CAS 1079129-48-8 Diethyl(2-methoxyethyl)methylammonium Bis(fluorosulfonyl)imide molecular structure lightbox
CAS RN: 1079129-48-8

Diethyl(2-methoxyethyl)methylammonium Bis(fluorosulfonyl)imide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251202 1g In stock Inquiry
Batchno.20251114 5g In stock Inquiry
  • Product code: SSC-009227
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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: 1g
  • 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 1079129-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1079129-48-8 / bis(fluorosulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium

Diethyl(2-methoxyethyl)methylammonium Bis(fluorosulfonyl)imide | RefChem:587308 | 833-604-5

Standard CAS: 1079129-48-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1079129-48-8
Multi CAS
No
Molecular Formula
C8H20F2N2O5S2
Molecular Weight
326.400000
Exact Mass
326.078170
SMILES
CC[N+](C)(CC)CCOC.[N-](S(=O)(=O)F)S(=O)(=O)F
InChI
InChI=1S/C8H20NO.F2NO4S2/c1-5-9(3,6-2)7-8-10-4;1-8(4,5)3-9(2,6)7/h5-8H2,1-4H3;/q+1;-1
InChIKey
OHKPLVVWXQGNTL-UHFFFAOYSA-N
Synonyms
Diethyl(2-methoxyethyl)methylammonium Bis(fluorosulfonyl)imide RefChem:587308 833-604-5 N,N-Diethyl-N-methyl-N-(2-methoxyethyl)ammonium imidodisulfuryl fluoride MFCD22421701

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
67.42
TPSA
91.61

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
0.91
Consensus LogP
0.88
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-4.07

Drug-likeness / Medicinal Chemistry

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

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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