CAS RN: 12070-78-9
ethylammonium tetrafluoroborate(1-)
Product Availability
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5 package records3 with current stock1 grade group
- Product code: starshine_CAS12070-78-9
- Purity/Analytical Methods: >99.0%
12070-78-9 / ethanamine tetrafluoroborate
SCHEMBL457274 | Ethanaminium tetrafluoridoborate(1-) | FE79944
Basic Information
CAS
12070-78-9
Multi CAS
Yes
Molecular Formula
C2H7BF4N-
Molecular Weight
131.890000
Exact Mass
132.060767
SMILES
[B-](F)(F)(F)F.CCN
InChI
InChI=1S/C2H7N.BF4/c1-2-3;2-1(3,4)5/h2-3H2,1H3;/q;-1
InChIKey
YAGCIVXJAKJBMA-UHFFFAOYSA-N
Synonyms
SCHEMBL457274
Ethanaminium tetrafluoridoborate(1-)
FE79944
NS00085537
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.91
TPSA
26.02
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-2.63
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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