CAS RN: 22526-46-1
(S)-(+)-2-Amino-3-methylbutane
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.20250715 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS22526-46-1
- Purity/Analytical Methods: >99.0%
22526-46-1 / 3-methylbutan-2-amine
Basic Information
CAS
22526-46-1
Multi CAS
No
Molecular Formula
C5H13N
Molecular Weight
87.160000
Exact Mass
87.104799
SMILES
CC(C)C(C)N
InChI
InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey
JOZZAIIGWFLONA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.49
TPSA
26.02
LogP / Solubility
WLOGP
0.99
MLOGP
0.86
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.17
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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