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CAS 1150655-04-1 Potassium ((dimethylamino)methyl)trifluoroborate molecular structure lightbox
CAS RN: 1150655-04-1

Potassium ((dimethylamino)methyl)trifluoroborate

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: LINP905072
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1150655-04-1 / potassium (dimethylamino)methyl-trifluoroboranuide

Potassium dimethylaminomethyl trifluoroboronate | RefChem:867795 | 693-819-3

Standard CAS: 1150655-04-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1150655-04-1
Multi CAS
Yes
Molecular Formula
C3H8BF3KN
Molecular Weight
165.010000
Exact Mass
165.033895
SMILES
[B-](CN(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C3H8BF3N.K/c1-8(2)3-4(5,6)7;/h3H2,1-2H3;/q-1;+1
InChIKey
RSVQKXNUTHTPLK-UHFFFAOYSA-N
Synonyms
Potassium dimethylaminomethyl trifluoroboronate RefChem:867795 693-819-3 potassium ((dimethylamino)methyl)trifluoroborate Potassium dimethylaminomethyltrifluoroboronate

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
27.63
TPSA
3.24

LogP / Solubility

WLOGP
-2.06
MLOGP
-1.82
XLogP3
-2.06
Consensus LogP
-1.98
Log S (ESOL)
0.57
Class (ESOL)
Highly soluble
Log S (Ali)
0.58
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
Class (SILICOS-IT)
Highly 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)
-5.19

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

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