CAS RN: 61033-86-1
4-(4,5-Dihydro-1H-imidazol-2-yl)aniline 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.20250927 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS61033-86-1
- Purity/Analytical Methods: >99.0%
61033-86-1 / 4-(4,5-dihydro-1H-imidazol-2-yl)aniline;hydrochloride
Basic Information
CAS
61033-86-1
Multi CAS
No
Molecular Formula
C9H12CLN3
Molecular Weight
197.660000
Exact Mass
197.071975
InChI
InChI=1S/C9H11N3.ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1-4H,5-6,10H2,(H,11,12);1H
InChIKey
SHDZIGFWOKNAKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.51
TPSA
50.41
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-3.19
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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