CAS RN: 2044927-06-0
2-methyl-4-morpholinobutan-2-amine dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2044927-06-0
- Purity/Analytical Methods: >99.0%
2044927-06-0 / 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride
Basic Information
CAS
2044927-06-0
Multi CAS
No
Molecular Formula
C9H22Cl2N2O
Molecular Weight
245.190000
Exact Mass
244.110919
SMILES
CC(C)(CCN1CCOCC1)N.Cl.Cl
InChI
InChI=1S/C9H20N2O.2ClH/c1-9(2,10)3-4-11-5-7-12-8-6-11;;/h3-8,10H2,1-2H3;2*1H
InChIKey
OVGCKYCHSVLAME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.64
TPSA
38.49
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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