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CAS 936329-95-2 Potassium [(diethylamino)methyl]trifluoroborate molecular structure lightbox
CAS RN: 936329-95-2

Potassium [(diethylamino)methyl]trifluoroborate

  • Product code: SSC-207967
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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 936329-95-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

936329-95-2 / potassium diethylaminomethyl(trifluoro)boranuide

Standard CAS: 936329-95-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936329-95-2
Multi CAS
Yes
Molecular Formula
BC5F3H12KN
Molecular Weight
193.060000
Exact Mass
193.065196
InChI
InChI=1S/C5H12BF3N.K/c1-3-10(4-2)5-6(7,8)9;/h3-5H2,1-2H3;/q-1;+1
InChIKey
XFGVBBZAWCUUAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
36.87
TPSA
3.24

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.13
XLogP3
-1.28
Consensus LogP
-1.23
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.81

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

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