![CAS 69980-83-2 2-(2H-BENZO[D][1,2,3]TRIAZOL-2-YL)ETHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69980-83-2.gif)
CAS RN: 69980-83-2
2-(2H-BENZO[D][1,2,3]TRIAZOL-2-YL)ETHANAMINE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS69980-83-2
- Purity/Analytical Methods: >99.0%
69980-83-2 / 2-(benzotriazol-2-yl)ethanamine
Basic Information
CAS
69980-83-2
Multi CAS
No
Molecular Formula
C8H10N4
Molecular Weight
162.190000
Exact Mass
162.090546
InChI
InChI=1S/C8H10N4/c9-5-6-12-10-7-3-1-2-4-8(7)11-12/h1-4H,5-6,9H2
InChIKey
INACWHUYXXAULT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.58
TPSA
56.73
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.7
Consensus LogP
0.48
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.43
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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