CAS RN: 4961-40-4
Triethylenetetramine Tetrahydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260524 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTT1212
- Purity/Analytical Methods: >60.0%(GC)
4961-40-4 / N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
Basic Information
CAS
4961-40-4
Multi CAS
Yes
Molecular Formula
C6H22CL4N4
Molecular Weight
292.100000
Exact Mass
292.056907
InChI
InChI=1S/C6H18N4.4ClH/c7-1-3-9-5-6-10-4-2-8;;;;/h9-10H,1-8H2;4*1H
InChIKey
OKHMDSCYUWAQPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
72.84
TPSA
76.1
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.19
XLogP3
-0.23
Consensus LogP
-0.22
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-4.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
