N-(2-Aminoethyl)maleimide Hydrochloride - ≥93%(HPLC) , CAS No.134272-64-3

CAS: 134272-64-3 Cat. No.: N159243 Molecular Weight: 176.6 EC Number: 802-071-0

GRADE & PURITY ≥93%(HPLC)

Synonyms

1-(2-Aminoethyl)-1H-pyrrole-2,5-dione--hydrogen chloride (1/1) | 1-(2-AMINOETHYL)PYRROLE-2,5-DIONE HYDROCHLORIDE | AKOS015909948 | J-006509 | Z3234899276 | SY057186 | 1-(2-aminoethyl)-1H-pyrrole-2,5-dione hydrochloride;2-MALEIMIDOETHYLAMINE HCL | 1-(2-Ami

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-(2-Aminoethyl)-1H-pyrrole-2, 5-dione--hydrogen chloride (1/1) | 1-(2-AMINOETHYL)PYRROLE-2, 5-DIONE HYDROCHLORIDE | AKOS015909948 | J-006509 | Z3234899276 | SY057186 | 1-(2-aminoethyl)-1H-pyrrole-2, 5-dione hydrochloride;2-MALEIMIDOETHYLAMINE HCL | 1-(2-Ami

Specifications & Purity

≥93%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥93%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=O)N(C1=O)CCN.Cl
• IUPAC Name: 1-(2-aminoethyl)pyrrole-2,5-dione;hydrochloride
• InChIKey: NJQOCRDPGFWEKA-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2.ClH/c7-3-4-8-5(9)1-2-6(8)10;/h1-2H,3-4,7H2;1H
• Isomeric SMILES: C1=CC(=O)N(C1=O)CCN.Cl
• Molecular Weight: 176.6
• Reaxy-Rn: 19159111
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19159111&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: N-substituted carboxylic acid imides Pyrrolines Dicarboximides Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrochloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione 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 Methanol
• Sensitivity: Air and moisture sensitive
• Melt Point(°C): 163 °C(dec.)
• Molecular Weight: 176.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.035 Da
• Monoisotopic Mass: 176.035 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 180.000
• 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. Yingjie Zhang, Changfei Duan, Qing Li, Yuchen Bai, Baolei Dong, Yingying Tang, Min He, Chenqi Hao, Kai Wen, Jianzhong Shen, Zhanhui Wang.  (2022)  Fluorescence polarization immunoassay based on fragmentary hapten for rapid and sensitive screening of polymyxins in human serum.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2022.132404]

2. Hongqin Zhu, Feng Ren, Tingting Wang, Zhilin Jiang, Qiao Sun, Zhen Li.  (2022)  Targeted Immunoimaging of Tumor-Associated Macrophages in Orthotopic Glioblastoma by the NIR-IIb Nanoprobes.  Small,  18  (30): (2202201).  [PMID:35771091] [10.1002/smll.202202201]