[email protected]
CAS 1257647-66-7 1-Butyl-1-methylpiperidinium hexafluorophosphate molecular structure lightbox
CAS RN: 1257647-66-7

1-Butyl-1-methylpiperidinium hexafluorophosphate

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 25g In stock Shanghai Inquiry
Batchno.20260619 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 1g Out of stock Inquiry
Batchno.20250228 25g Out of stock Inquiry
Batchno.20250217 5g Out of stock Inquiry
  • Product code: starshine_CAS1257647-66-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1257647-66-7 / 1-butyl-1-methylpiperidin-1-ium hexafluorophosphate

Standard CAS: 1257647-66-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1257647-66-7
Multi CAS
No
Molecular Formula
C10H22F6NP
Molecular Weight
301.250000
Exact Mass
301.139406
SMILES
CCCC[N+]1(CCCCC1)C.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C10H22N.F6P/c1-3-4-8-11(2)9-6-5-7-10-11;1-7(2,3,4,5)6/h3-10H2,1-2H3;/q+1;-1
InChIKey
FHOLSPXOTQMKMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
63.11
TPSA
0.0000

LogP / Solubility

WLOGP
5.8
MLOGP
5.12
XLogP3
5.8
Consensus LogP
5.57
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.44

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us