CAS RN: 81731-43-3
2-Aminoethyl Isopropyl Ether
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: ICTA1296
- Purity/Analytical Methods: >98.0%(GC)(T)
81731-43-3 / 2-propan-2-yloxyethanamine
Basic Information
CAS
81731-43-3
Multi CAS
Yes
Molecular Formula
C5H13NO
Molecular Weight
103.160000
Exact Mass
103.099714
InChI
InChI=1S/C5H13NO/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3
InChIKey
USECIYVEPXUVHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.14
TPSA
35.25
LogP / Solubility
WLOGP
0.37
MLOGP
0.31
XLogP3
-0.1
Consensus LogP
0.19
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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N-Methylisopropylamine
- CAS RN: 4747-21-1
- Product Code: ICTM2429
- Purity/Analytical method: >98.0%(GC)
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