CAS RN: 96-16-2
3-amino-2-methylpropiononitrile
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.20260504 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS96-16-2
- Purity/Analytical Methods: >99.0%
96-16-2 / 3-amino-2-methylpropanenitrile
Basic Information
CAS
96-16-2
Multi CAS
Yes
Molecular Formula
C4H8N2
Molecular Weight
84.120000
Exact Mass
84.068748
InChI
InChI=1S/C4H8N2/c1-4(2-5)3-6/h4H,2,5H2,1H3
InChIKey
GDIMNXJSMJSDSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.83
TPSA
49.81
LogP / Solubility
WLOGP
0.1
MLOGP
0.08
XLogP3
-0.5
Consensus LogP
-0.11
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.16
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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