CAS RN: 1187951-61-6
Potassium 4-(N,N-dimethylamino)phenyltrifluoroborate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187951-61-6
- Purity/Analytical Methods: >99.0%
1187951-61-6 / potassium [4-(dimethylamino)phenyl]-trifluoroboranuide
Potassium (4-(dimethylamino)phenyl)trifluoroborate | POTASSIUM 4-(N,N-DIMETHYLAMINO)PHENYLTRIFLUOROBORATE | Potassium [4-(dimethylamino)phenyl]trifluoroborate
Basic Information
CAS
1187951-61-6
Multi CAS
Yes
Molecular Formula
C8H10BF3KN
Molecular Weight
227.080000
Exact Mass
227.049546
SMILES
[B-](C1=CC=C(C=C1)N(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C8H10BF3N.K/c1-13(2)8-5-3-7(4-6-8)9(10,11)12;/h3-6H,1-2H3;/q-1;+1
InChIKey
RFFDTHVZSLGINK-UHFFFAOYSA-N
Synonyms
Potassium (4-(dimethylamino)phenyl)trifluoroborate
POTASSIUM 4-(N,N-DIMETHYLAMINO)PHENYLTRIFLUOROBORATE
Potassium [4-(dimethylamino)phenyl]trifluoroborate
MFCD09993289
potassium [4-(dimethylamino)phenyl]trifluoroboranuide
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.48
TPSA
3.24
LogP / Solubility
WLOGP
-1.19
MLOGP
-1.04
XLogP3
-1.19
Consensus LogP
-1.14
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
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)
-4.95
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)
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
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