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CAS 206658-89-1 3-Aminophenylboronic Acid Monohydrate (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 206658-89-1

3-Aminophenylboronic Acid Monohydrate (contains varying amounts of Anhydride)

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100g Out of stock Inquiry
Batchno.20250717 10g In stock Inquiry
Batchno.20250403 1g In stock Inquiry
Batchno.20250917 25g In stock Inquiry
Batchno.20250210 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-097353
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 5g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 206658-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Beijing Inquiry
100g >97% 1 In Stock Shenzhen Inquiry

206658-89-1 / (3-aminophenyl)boronic acid;hydrate

Standard CAS: 206658-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206658-89-1
Multi CAS
No
Molecular Formula
C6H10BNO3
Molecular Weight
154.960000
Exact Mass
155.075373
SMILES
B(C1=CC(=CC=C1)N)(O)O.O
InChI
InChI=1S/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2
InChIKey
XAEOVQODHLLNKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.29
TPSA
97.98

LogP / Solubility

WLOGP
-1.88
MLOGP
-1.66
XLogP3
-1.88
Consensus LogP
-1.81
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.77
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5

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

Applications of CAS 206658-89-1

This compound is commonly used in pharmaceutical research and drug discovery, life science and biochemical research, biochemistry and reagent applications, metal and coordination compound chemistry, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 206658-89-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name(3-aminophenyl)boronic acid;hydrate

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

Storage & Handling

Storage: Store under inert gas. Avoid: Hygroscopic. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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