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CAS 24828-38-4 4-Diethylamino-2-methylphenylammonium chloride molecular structure lightbox
CAS RN: 24828-38-4

4-Diethylamino-2-methylphenylammonium chloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS24828-38-4
  • Purity/Analytical Methods: >99.0%
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24828-38-4 / 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydrochloride

Standard CAS: 24828-38-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24828-38-4
Multi CAS
No
Molecular Formula
C11H19ClN2
Molecular Weight
214.730000
Exact Mass
214.123676
SMILES
CCN(CC)C1=CC(=C(C=C1)N)C.Cl
InChI
InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
InChIKey
MPLZNPZPPXERDA-UHFFFAOYSA-N

Physical Properties

Physical Description
White odorless crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.4
TPSA
29.26

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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