CAS RN: 26189-59-3
1-Chloro-N,N,2-trimethylpropenylamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250326 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Chongqing | 5-7 business days | Inquiry |
- Product code: starshine_CAS26189-59-3
- Purity/Analytical Methods: >99.0%
26189-59-3 / 1-chloro-N,N,2-trimethylprop-1-en-1-amine
Basic Information
CAS
26189-59-3
Multi CAS
No
Molecular Formula
C6H12ClN
Molecular Weight
133.620000
Exact Mass
133.065827
SMILES
CC(=C(N(C)C)Cl)C
InChI
InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
InChIKey
GQIRIWDEZSKOCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.91
TPSA
3.24
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
2.7
Consensus LogP
2.18
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.09
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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