CAS RN: 2206-26-0
Acetonitrile-d3 99.8atom%D
Product Availability
Choose a grade to view its available package options.
14 package records14 with current stock5 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 0.5ml / 10g / 25g / 50g / 10X0.5ml | Confirm by inquiry | Shanghai, Guangdong, Chongqing, Shandong, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 0.5ml / 10X0.5ml | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: ICTA2018
- Purity/Analytical Methods: >99.0%(GC)
2206-26-0 / 2,2,2-trideuterioacetonitrile
Basic Information
CAS
2206-26-0
Multi CAS
No
Molecular Formula
C2H3N
Molecular Weight
44.070000
Exact Mass
44.045379
SMILES
[2H]C([2H])([2H])C#N
InChI
InChI=1S/C2H3N/c1-2-3/h1H3/i1D3
InChIKey
WEVYAHXRMPXWCK-FIBGUPNXSA-N
Physical Properties
Physical Description
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
3
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
11.29
TPSA
23.79
LogP / Solubility
WLOGP
0.53
MLOGP
0.45
Consensus LogP
0.33
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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