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CAS 1235234-32-8 Diethyl(methyl)propylammonium Bis(fluorosulfonyl)imide molecular structure lightbox
CAS RN: 1235234-32-8

Diethyl(methyl)propylammonium Bis(fluorosulfonyl)imide

  • Product code: SSC-027241
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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 1235234-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1235234-32-8 / bis(fluorosulfonyl)azanide;diethyl-methyl-propylazanium

Standard CAS: 1235234-32-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1235234-32-8
Multi CAS
No
Molecular Formula
C8H20F2N2O4S2
Molecular Weight
310.400000
Exact Mass
310.083256
SMILES
CCC[N+](C)(CC)CC.[N-](S(=O)(=O)F)S(=O)(=O)F
InChI
InChI=1S/C8H20N.F2NO4S2/c1-5-8-9(4,6-2)7-3;1-8(4,5)3-9(2,6)7/h5-8H2,1-4H3;/q+1;-1
InChIKey
JVCJTUSCMOJHBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
65.84
TPSA
82.38

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
1.67
Consensus LogP
1.61
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-3.43

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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