CAS RN: 1955557-85-3
2-(1H-1,2,3-triazol-1-yl)ethan-1-amine hydrochloride
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.20250304 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1955557-85-3
- Purity/Analytical Methods: >99.0%
1955557-85-3 / 2-(triazol-1-yl)ethanamine;hydrochloride
Basic Information
CAS
1955557-85-3
Multi CAS
No
Molecular Formula
C4H9ClN4
Molecular Weight
148.590000
Exact Mass
148.051574
SMILES
C1=CN(N=N1)CCN.Cl
InChI
InChI=1S/C4H8N4.ClH/c5-1-3-8-4-2-6-7-8;/h2,4H,1,3,5H2;1H
InChIKey
CKCUIBHRIYJTAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.32
TPSA
56.73
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.31
XLogP3
-0.34
Consensus LogP
-0.33
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1955558-29-8 1,2,4-Triazolo[4,3-a]pyridine-3-methanamine, 8-fluoro-, hydrochloride (1:1) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,2,4-Triazolo[4,3-a]pyridine-3-methanamine, 8-fluoro-, hydrochloride (1:1)
- CAS RN: 1955558-29-8
- Product Code: starshine_CAS1955558-29-8
- Purity/Analytical method: >99.0%
-
3-(tert-butoxy)-2-cyclopentyl-3-oxopropanoic acid
- CAS RN: 1955560-75-4
- Product Code: SSC-092335
-
8-bromochroman-4-amine hydrochloride
- CAS RN: 1955562-11-4
- Product Code: starshine_CAS1955562-11-4
- Purity/Analytical method: >99.0%
-
4-(4-Fluorobenzyl)-3-Oxo-3,4-Dihydropyrazine-2-Carboxylic Acid(WXC01551)
- CAS RN: 1956306-66-3
- Product Code: starshine_CAS1956306-66-3
- Purity/Analytical method: >99.0%
-
(3-BROMOPYRIDIN-4-YL)METHANAMINE HYDROCHLORIDE
- CAS RN: 1956307-14-4
- Product Code: starshine_CAS1956307-14-4
- Purity/Analytical method: >99.0%
-
6,6-Difluoro-1,4-Diazepane Dihydrochloride(WXC04027)
- CAS RN: 1956307-23-5
- Product Code: SSC-092355
![CAS 1955558-29-8 1,2,4-Triazolo[4,3-a]pyridine-3-methanamine, 8-fluoro-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1955558-29-8.gif)
