CAS RN: 23349-86-2
3-chloro-2-methylpropyl(dimethyl)amine
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.20251126 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23349-86-2
- Purity/Analytical Methods: >99.0%
23349-86-2 / 3-chloro-N,N,2-trimethylpropan-1-amine
Basic Information
CAS
23349-86-2
Multi CAS
No
Molecular Formula
C6H14ClN
Molecular Weight
135.630000
Exact Mass
135.081477
SMILES
CC(CN(C)C)CCl
InChI
InChI=1S/C6H14ClN/c1-6(4-7)5-8(2)3/h6H,4-5H2,1-3H3
InChIKey
UGXACBBAXFABGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
38.44
TPSA
3.24
LogP / Solubility
WLOGP
1.42
MLOGP
1.24
XLogP3
1.6
Consensus LogP
1.42
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.54
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
2
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