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CAS 117947-86-1 N-methyl ,ethyl-Morpholinium tetrafluoroborate molecular structure lightbox
CAS RN: 117947-86-1

N-methyl ,ethyl-Morpholinium tetrafluoroborate

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Batchno.20250424 500g Out of stock Inquiry
  • Product code: starshine_CAS117947-86-1
  • Purity/Analytical Methods: >99.0%
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117947-86-1 / 4-ethyl-4-methylmorpholin-4-ium tetrafluoroborate

N-methyl ,ethyl-Morpholinium tetrafluoroborate | 4-Ethyl-4-methylmorpholin-4-ium tetrafluoroborate | SCHEMBL1718720

Standard CAS: 117947-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117947-86-1
Multi CAS
No
Molecular Formula
C7H16BF4NO
Molecular Weight
217.020000
Exact Mass
217.126107
SMILES
[B-](F)(F)(F)F.CC[N+]1(CCOCC1)C
InChI
InChI=1S/C7H16NO.BF4/c1-3-8(2)4-6-9-7-5-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1
InChIKey
ZASONNSYIVFISJ-UHFFFAOYSA-N
Synonyms
N-methyl ,ethyl-Morpholinium tetrafluoroborate 4-Ethyl-4-methylmorpholin-4-ium tetrafluoroborate SCHEMBL1718720 DB-298791 N-ethyl-N-methyl-morpholinium tetrafluoroborate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.46
TPSA
9.23

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.78

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

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