CAS RN: 4432-77-3
N-tert-Butylethylamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 1ml | In stock | Shanghai | Inquiry |
- Product code: ICTB0888
- Purity/Analytical Methods: >98.0%(GC)(T)
4432-77-3 / N-ethyl-2-methylpropan-2-amine
Basic Information
CAS
4432-77-3
Multi CAS
No
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
InChI
InChI=1S/C6H15N/c1-5-7-6(2,3)4/h7H,5H2,1-4H3
InChIKey
XQOIBQBPAXOVGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.43
TPSA
12.03
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
