CAS RN: 42185-03-5
2-Propoxyethylamine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTA1325
- Purity/Analytical Methods: >97.0%(GC)(T)
42185-03-5 / 2-propoxyethanamine
Basic Information
CAS
42185-03-5
Multi CAS
Yes
Molecular Formula
C5H13NO
Molecular Weight
103.160000
Exact Mass
103.099714
InChI
InChI=1S/C5H13NO/c1-2-4-7-5-3-6/h2-6H2,1H3
InChIKey
HMWXCSCBUXKXSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.16
TPSA
35.25
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
Consensus LogP
0.23
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
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)
-3.09
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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