CAS RN: 66228-31-7
(R)-3,3-DIMETHYL-2-AMINOBUTANE
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS66228-31-7
- Purity/Analytical Methods: >99.0%
66228-31-7 / 3,3-dimethylbutan-2-amine
Basic Information
CAS
66228-31-7
Multi CAS
Yes
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
InChI
InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3
InChIKey
DXSUORGKJZADET-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
33.1
TPSA
26.02
LogP / Solubility
WLOGP
1.38
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.33
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-2.36
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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