3-(Aminomethyl)benzeneboronic acid hydrochloride (contains varying amounts of Anhydride) - ≥95% , CAS No.352525-94-1

CAS: 352525-94-1 Cat. No.: A183949 Molecular Weight: 187.4 EC Number: 691-321-0

GRADE & PURITY ≥95%

Synonyms

AKOS006228617 | Acetic acid, 1,1'-(dibutylstannylene) ester | (3-(aminomethyl)phenyl) boronic acid hydrochloride | MFCD02093050 | SCHEMBL1490536 | 3-Aminomethylphenylboronic acid, HCl | 3-Aminomethylphenylboronic acid hydrochloride | 3-aminomethyl-phenylb

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS006228617 | Acetic acid, 1, 1'-(dibutylstannylene) ester | (3-(aminomethyl)phenyl) boronic acid hydrochloride | MFCD02093050 | SCHEMBL1490536 | 3-Aminomethylphenylboronic acid, HCl | 3-Aminomethylphenylboronic acid hydrochloride | 3-aminomethyl-phenylb

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768460
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768460
• Canonical Smiles: B(C1=CC(=CC=C1)CN)(O)O.Cl
• IUPAC Name: [3-(aminomethyl)phenyl]boronic acid;hydrochloride
• InChIKey: NPTBTFRGCBFYPZ-UHFFFAOYSA-N
• INCHI: 1S/C7H10BNO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4,10-11H,5,9H2;1H
• Isomeric SMILES: B(C1=CC(=CC=C1)CN)(O)O.Cl
• Molecular Weight: 187.4
• Reaxy-Rn: 10706941
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10706941&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Boronic acids Organic metalloid salts Organopnictogen compounds Organoboron compounds Organic zwitterions Organic oxygen compounds Organic chloride salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Boronic acid derivative - Boronic acid - Organic metalloid salt - Amine - Organic chloride salt - Organic salt - Organic zwitterion - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organoboron compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: Slightly soluble in water.
• Molecular Weight: 187.430 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.057 Da
• Monoisotopic Mass: 187.057 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• 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. Shengming Zhang, Weixian Hu, Yanzhi Zhao, Yuheng Liao, Kangkang Zha, Wenqian Zhang, Chenyan Yu, Jiewen Liao, Hui Li, Wu Zhou, Faqi Cao, Bobin Mi, Guohui Liu.  (2025)  Bidirectional modulation of glycolysis using a multifunctional nanocomposite hydrogel promotes bone fracture healing in type 2 diabetes mellitus.  Bioactive Materials,      [PMID:40256330] [10.1016/j.bioactmat.2025.03.020]

2. Lihao Guo, Shuxiang Xu, Xiaolin Tai, Li Wang, Gandong Zhou, Jie Yang, Taorui Yang, Yue Lin, Jianzhi Gao, Minghu Pan, Weiwei Wu, Miaomiao Yuan.  (2026)  2D MBene Nanosheets as Sonosensitizers for Ultrasound-Triggered Precision Cancer Therapy.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202529462]

3. Kai Feng, Jiajia An, Xinmiao Zhang, Gaoling Li, Yiling Ruan, Hongxiang Huang, Yanlei Sun, Xuan Liu, Xiaolian Sun.  (2026)  One Stone, Four Birds: Multiple Modulation of Infarct Microenvironment-Based ROS-Responsive Hydrogel for Cardiac Repair.  Advanced Healthcare Materials,      [PMID:41580910] [10.1002/adhm.202505502]