CAS RN: 4104-44-3
METHYL ISOAMYLAMINE
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.20260407 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4104-44-3
- Purity/Analytical Methods: >99.0%
4104-44-3 / N,3-dimethylbutan-1-amine
Basic Information
CAS
4104-44-3
Multi CAS
Yes
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
InChI
InChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3
InChIKey
QSOCODZVGPDGDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.38
TPSA
12.03
LogP / Solubility
WLOGP
1.25
MLOGP
1.09
XLogP3
1.5
Consensus LogP
1.28
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.45
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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- Product Code: starshine_CAS4104-75-0
- Purity/Analytical method: >99.0%
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