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CAS 134353-08-5 N-methyl ,ethyl-Morpholinium hexafluorophosphate molecular structure lightbox
CAS RN: 134353-08-5

N-methyl ,ethyl-Morpholinium hexafluorophosphate

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Batchno.20250601 500g Out of stock Inquiry
  • Product code: starshine_CAS134353-08-5
  • Purity/Analytical Methods: >99.0%
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134353-08-5 / 4-ethyl-4-methylmorpholin-4-ium hexafluorophosphate

Standard CAS: 134353-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134353-08-5
Multi CAS
No
Molecular Formula
C7H16F6NOP
Molecular Weight
275.170000
Exact Mass
275.087370
SMILES
CC[N+]1(CCOCC1)C.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C7H16NO.F6P/c1-3-8(2)4-6-9-7-5-8;1-7(2,3,4,5)6/h3-7H2,1-2H3;/q+1;-1
InChIKey
ULCMPDHEKFTQRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.85
TPSA
9.23

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
3.87
Consensus LogP
3.72
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.65

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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