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CAS 1261269-05-9 4-(2-IMidazolyl)aniline Hydrochloride molecular structure lightbox
CAS RN: 1261269-05-9

4-(2-IMidazolyl)aniline Hydrochloride

  • Product code: SSC-032436
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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: 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1261269-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1261269-05-9 / 4-(1H-imidazol-2-yl)aniline;hydrochloride

Standard CAS: 1261269-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261269-05-9
Multi CAS
No
Molecular Formula
C9H10ClN3
Molecular Weight
195.650000
Exact Mass
195.056325
SMILES
C1=CC(=CC=C1C2=NC=CN2)N.Cl
InChI
InChI=1S/C9H9N3.ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1-6H,10H2,(H,11,12);1H
InChIKey
BMCAWISSEKMFSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.68
TPSA
54.7

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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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