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CAS 186088-50-6 1-Butylpyridinium Hexafluorophosphate molecular structure lightbox
CAS RN: 186088-50-6

1-Butylpyridinium Hexafluorophosphate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-086234
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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: 25g
  • Available purity: ＞97%
  • 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 186088-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

186088-50-6 / 1-butylpyridin-1-ium hexafluorophosphate

Standard CAS: 186088-50-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
186088-50-6
Multi CAS
No
Molecular Formula
C9H14F6NP
Molecular Weight
281.180000
Exact Mass
281.076805
SMILES
CCCC[N+]1=CC=CC=C1.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C9H14N.F6P/c1-2-3-7-10-8-5-4-6-9-10;1-7(2,3,4,5)6/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1
InChIKey
CTMFVASPBJWPFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
55.11
TPSA
3.88

LogP / Solubility

WLOGP
5.16
MLOGP
4.55
XLogP3
5.16
Consensus LogP
4.96
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble

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)
-0.77

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 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): 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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