CAS RN: 593-55-5
Ethylamine Hydrobromide
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: ICTE0056
- Purity/Analytical Methods: >98.0%(T)(N)
593-55-5 / ethanamine;hydrobromide
Basic Information
CAS
593-55-5
Multi CAS
Yes
Molecular Formula
BC2H8Rn
Molecular Weight
126.000000
Exact Mass
124.984010
InChI
InChI=1S/C2H7N.BrH/c1-2-3;/h2-3H2,1H3;1H
InChIKey
PNZDZRMOBIIQTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.05
TPSA
26.02
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.54
Consensus LogP
0.52
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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