3-Aminophenylboronic Acid Monohydrate (contains varying amounts of Anhydride) - ≥98% , CAS No.206658-89-1

CAS: 206658-89-1 Cat. No.: A111311 Molecular Weight: 154.96 Beilstein Registry Number: 2936342 EC Number: 628-553-9

GRADE & PURITY ≥98%

Synonyms

(3-aminophenyl)boronic acid monohydrate | (3-aminophenyl)-boronic acid monohydrate | (3-aminophenyl)boronic acid hydrate | (3-aminophenyl)boronic acid hydrate;3-Aminophenylboronic acid monohydrate | 3-aminophenyl boronic acid monohydrate | J-511718 | 3-Am

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

(3-aminophenyl)boronic acid monohydrate | (3-aminophenyl)-boronic acid monohydrate | (3-aminophenyl)boronic acid hydrate | (3-aminophenyl)boronic acid hydrate;3-Aminophenylboronic acid monohydrate | 3-aminophenyl boronic acid monohydrate | J-511718 | 3-Am

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488198649
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198649
• Canonical Smiles: B(C1=CC(=CC=C1)N)(O)O.O
• IUPAC Name: (3-aminophenyl)boronic acid;hydrate
• InChIKey: XAEOVQODHLLNKX-UHFFFAOYSA-N
• INCHI: 1S/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2
• Isomeric SMILES: B(C1=CC(=CC=C1)N)(O)O.O
• WGK Germany: 3
• Molecular Weight: 154.96
• Beilstein: 2936342
• Reaxy-Rn: 9004159
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9004159&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Boronic acids Organic metalloid salts Primary amines Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organic metalloid moeity - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in DMSO and methanol.
• Sensitivity: Hygroscopic;Air sensitive;Light sensitive
• Melt Point(°C): 93-96°C
• Molecular Weight: 154.960 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.075 Da
• Monoisotopic Mass: 155.075 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yu Chaojie, Shi Mingyue, He Shaoshuai, Yao Mengmeng, Sun Hong, Yue Zhiwei, Qiu Yuwei, Liu Baijun, Liang Lei, Zhao Zhongming, Yao Fanglian, Zhang Hong, Li Junjie.  (2023)  Chronological adhesive cardiac patch for synchronous mechanophysiological monitoring and electrocoupling therapy.  Nature Communications,  14  (1): (1-14).  [PMID:37803005] [10.1038/s41467-023-42008-9]

2. Yuwei Qiu, Linfa Li, Lei Liang, Chaojie Yu, Fanglian Yao, Jin Zhou, Hong Zhang, Junjie Li.  (2025)  Photothermal-Mediated Topological–Covalent Tissue Adhesives: Synchronizing Robust Integration with Electrically Coupled Biointerfaces.  ACS Nano,      [PMID:41392447] [10.1021/acsnano.5c14247]