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CAS 333-18-6 Ethylenediamine Dihydrochloride molecular structure lightbox
CAS RN: 333-18-6

Ethylenediamine Dihydrochloride

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5 package records4 with current stock2 grade groups
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Batchno.20250717 1g In stock Inquiry
Batchno.20250531 250mg Out of stock Inquiry
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  • Product code: ICTE0078
  • Purity/Analytical Methods: >98.0%(N)
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333-18-6 / ethane-1,2-diamine;dihydrochloride

Standard CAS: 333-18-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
333-18-6
Multi CAS
Yes
Molecular Formula
C2H10CL2N2
Molecular Weight
133.020000
Exact Mass
132.022104
InChI
InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H
InChIKey
OHHBFEVZJLBKEH-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid White crystalline solid; Hygroscopic
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.6
TPSA
52.04

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.23
XLogP3
-0.25
Consensus LogP
-0.24
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very 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)
-3.71

Drug-likeness / Medicinal Chemistry

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

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