CAS RN: 2155-94-4
N,N-Dimethylallylamine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260606 | 100ml | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20260106 | 2.5L | In stock | Shanghai | Inquiry |
| Batchno.20251221 | 25ml | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20260622 | 500ml | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTD1160
- Purity/Analytical Methods: >98.0%(GC)(T)
2155-94-4 / N,N-dimethylprop-2-en-1-amine
Basic Information
CAS
2155-94-4
Multi CAS
No
Molecular Formula
C5H11N
Molecular Weight
85.150000
Exact Mass
85.089149
SMILES
CN(C)CC=C
InChI
InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3
InChIKey
GBCKRQRXNXQQPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
28.75
TPSA
3.24
LogP / Solubility
WLOGP
0.73
MLOGP
0.63
XLogP3
0.9
Consensus LogP
0.75
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
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)
-2.72
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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- CAS RN: 2516-47-4
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- Purity/Analytical method: >95.0%(GC)(T)
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