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CAS 117947-85-0 1-Ethyl-1-methylpyrrolidinium Tetrafluoroborate molecular structure lightbox
CAS RN: 117947-85-0

1-Ethyl-1-methylpyrrolidinium Tetrafluoroborate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-017803
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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: ＞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 117947-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

117947-85-0 / 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate

1-Ethyl-1-methylpyrrolidinium tetrafluoroborate | DTXSID8049206 | DTXCID3028477

Standard CAS: 117947-85-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117947-85-0
Multi CAS
No
Molecular Formula
C7H16BF4N
Molecular Weight
201.020000
Exact Mass
201.131192
SMILES
[B-](F)(F)(F)F.CC[N+]1(CCCC1)C
InChI
InChI=1S/C7H16N.BF4/c1-3-8(2)6-4-5-7-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1
InChIKey
LAGDCVJRCOKWTN-UHFFFAOYSA-N
Synonyms
1-Ethyl-1-methylpyrrolidinium tetrafluoroborate DTXSID8049206 DTXCID3028477 RefChem:230199 801-438-2

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
45.88
TPSA
0.0000

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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