CAS RN: 21120-99-0
1,2-Ethanediamine, N1-(2-aminoethyl)-, hydrochloride (1:)
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.20250630 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21120-99-0
- Purity/Analytical Methods: >99.0%
21120-99-0 / N'-(2-aminoethyl)ethane-1,2-diamine;hydrochloride
Basic Information
CAS
21120-99-0
Multi CAS
No
Molecular Formula
C4H14ClN3
Molecular Weight
139.630000
Exact Mass
139.087625
SMILES
C(CNCCN)N.Cl
InChI
InChI=1S/C4H13N3.ClH/c5-1-3-7-4-2-6;/h7H,1-6H2;1H
InChIKey
PDAOFKBIOKDCPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.23
TPSA
64.07
LogP / Solubility
WLOGP
-1.08
MLOGP
-0.96
XLogP3
-1.08
Consensus LogP
-1.04
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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