Terephthalimidamide dihydrochloride - ≥97% , CAS No.14401-56-0

CAS: 14401-56-0 Cat. No.: B299952 Molecular Weight: 235.11 PubChem CID: 2747969

GRADE & PURITY ≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 488192951
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192951
• Canonical Smiles: C1=CC(=CC=C1C(=N)N)C(=N)N.Cl.Cl
• IUPAC Name: benzene-1,4-dicarboximidamide;dihydrochloride
• InChIKey: XFIJMILWUMIXPQ-UHFFFAOYSA-N
• INCHI: 1S/C8H10N4.2ClH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H3,9,10)(H3,11,12);2*1H
• Isomeric SMILES: C1=CC(=CC=C1C(=N)N)C(=N)N.Cl.Cl
• Alternate CAS: 15411-54-8
• PubChem CID: 2747969
• Molecular Weight: 235.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carboximidamides Carboxamidines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: moisture sensitive
• Molecular Weight: 235.110 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.044 Da
• Monoisotopic Mass: 234.044 Da
• Topological Polar Surface Area: 99.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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: 3

XLogP3

References

1. Chen Wang, Shuhan Zhang, Fei Zeng, Congcong Huang, Zhengwei Liu, Haofei Ni, Chuanqi Zhao, Yujun Song, Jingsheng Niu.  (2025)  Neutrophil Extracellular Traps-Inspired Hydrogen-Bonded Organic Framework-Based Bio-orthogonal Nanozymes for Enhanced Bacterial Capture and Sterilization.  ACS Applied Materials & Interfaces,      [PMID:40785617] [10.1021/acsami.5c11332]

2. Ruoxuan Guo, Liping Song, Wencheng Yao, Yingzhong Huo, Lu Wang, Yang Liu, Yuejie Ai, Xiangke Wang.  (2026)  Guided electron flow in anthraquinone-methoxy donor-acceptor1-acceptor2 covalent triazine frameworks enabling superior selective uranium capture.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41638077] [10.1016/j.jcis.2026.140012]