CAS RN: 3775-90-4
2-(tert-Butylamino)ethyl Methacrylate (stabilized with MEHQ)
Product Availability
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3 package records3 with current stock1 grade group
- Product code: ICTB6009
- Purity/Analytical Methods: >98.0%(GC)
3775-90-4 / 2-(tert-butylamino)ethyl 2-methylprop-2-enoate
Basic Information
CAS
3775-90-4
Multi CAS
No
Molecular Formula
C10H19NO2
Molecular Weight
185.260000
Exact Mass
185.141579
InChI
InChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3
InChIKey
BEWCNXNIQCLWHP-UHFFFAOYSA-N
Physical Properties
Melting Point
< -70 °C
Boiling Point
100-105 °C @ 12 MM HG
Density
0.914 @ 25 °C
Physical Description
Liquid; [HSDB] Colorless to light yellow liquid
Appearance
LIQUID
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.53
TPSA
38.33
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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