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CAS 542-11-0 Aniline Hydrobromide molecular structure lightbox
CAS RN: 542-11-0

Aniline Hydrobromide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260122 1g In stock Inquiry
Batchno.20251022 250mg In stock Inquiry
Batchno.20250318 5g In stock Inquiry
  • Product code: SSC-161806
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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: 25g
  • Available purity: ≥98%
  • 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 542-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

542-11-0 / aniline;hydrobromide

Standard CAS: 542-11-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
542-11-0
Multi CAS
Yes
Molecular Formula
BC6H8Rn
Molecular Weight
174.040000
Exact Mass
172.984010
InChI
InChI=1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKey
KBPWECBBZZNAIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.18
TPSA
26.02

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
1.85
Consensus LogP
1.77
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.47

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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