CAS RN: 51444-26-9
2-(1,2,4-TRIAZOL-1-YL)ETHYLAMINE DIHYDROCHLORIDE
- Product code: SSC-158280
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
51444-26-9 / 2-(1,2,4-triazol-1-yl)ethanamine;dihydrochloride
Basic Information
CAS
51444-26-9
Multi CAS
Yes
Molecular Formula
C4H10CL2N4
Molecular Weight
185.050000
Exact Mass
184.028252
InChI
InChI=1S/C4H8N4.2ClH/c5-1-2-8-4-6-3-7-8;;/h3-4H,1-2,5H2;2*1H
InChIKey
DTPGFYKFVNFLLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.57
TPSA
56.73
LogP / Solubility
WLOGP
0.08
MLOGP
0.07
XLogP3
0.08
Consensus LogP
0.08
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 51444-31-6 2-[1,2,4]TRIAZOL-1-YL-ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51444-31-6.gif)
