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

CAS: 352525-94-1 Cat. No.: A183949 Peso molecular: 187.4 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504768460
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768460
• Sonrisas canónicas: 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
• Isómeros SMILES: B(C1=CC(=CC=C1)CN)(O)O.Cl
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Peso molecular: 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

Referencias

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]