CAS RN: 1909336-50-0
2-(1-AMINOETHYL)-N,N-DIMETHYLANILINE DIHYDROCHLORIDE
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.20260426 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1909336-50-0
- Purity/Analytical Methods: >99.0%
1909336-50-0 / 2-(1-aminoethyl)-N,N-dimethylaniline;dihydrochloride
Basic Information
CAS
1909336-50-0
Multi CAS
No
Molecular Formula
C10H18Cl2N2
Molecular Weight
237.170000
Exact Mass
236.084704
SMILES
CC(C1=CC=CC=C1N(C)C)N.Cl.Cl
InChI
InChI=1S/C10H16N2.2ClH/c1-8(11)9-6-4-5-7-10(9)12(2)3;;/h4-8H,11H2,1-3H3;2*1H
InChIKey
IJOAYVXRAJDVDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.87
TPSA
29.26
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.62
Consensus LogP
2.52
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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