CAS RN: 617-79-8
2-Ethylbutylamine
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS617-79-8
- Purity/Analytical Methods: >99.0%
617-79-8 / 2-ethylbutan-1-amine
Basic Information
CAS
617-79-8
Multi CAS
Yes
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
InChI
InChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3
InChIKey
MGWAGIQQTULHGU-UHFFFAOYSA-N
Physical Properties
Boiling Point
125 °C
Density
0.776 @ 20 °C/20 °C
Physical Description
Colorless liquid with an amine odor; [HSDB] Colorless liquid or low melting solid; mp = 20-23 deg C
Appearance
Water-white liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.13
TPSA
26.02
LogP / Solubility
WLOGP
1.38
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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
1.5
