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CAS 244234-52-4 N,N-Dimethylethylenediamine Dihydroiodide molecular structure lightbox
CAS RN: 244234-52-4

N,N-Dimethylethylenediamine Dihydroiodide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTD5616
  • Purity/Analytical Methods: >98.0%(N)
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244234-52-4 / N',N'-dimethylethane-1,2-diamine;dihydroiodide

Standard CAS: 244234-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
244234-52-4
Multi CAS
No
Molecular Formula
C4H14I2N2
Molecular Weight
343.980000
Exact Mass
343.924640
SMILES
CN(C)CCN.I.I
InChI
InChI=1S/C4H12N2.2HI/c1-6(2)4-3-5;;/h3-5H2,1-2H3;2*1H
InChIKey
BAMDIFIROXTEEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.44
TPSA
29.26

LogP / Solubility

WLOGP
0.74
MLOGP
0.67
XLogP3
0.74
Consensus LogP
0.72
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-4.29

Drug-likeness / Medicinal Chemistry

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

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