Biguanidehydrochloride - ≥97% , CAS No.4761-93-7

CAS: 4761-93-7 Cat. No.: B303787 Peso molecular: 137.57

GRADE & PURITY ≥97%

Synonyms

J-200197 | imidodicarbonimidic diamide hydrochloride | Biguanidehydrochloride | F20461 | A827283 | Imidodicarbonimidic diamide, monohydrochloride | FT-0657095 | Triimidodicarbonic diamide--hydrogen chloride (1/1) | 1-(diaminomethylidene)guanidine;hydrochl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

J-200197 | imidodicarbonimidic diamide hydrochloride | Biguanidehydrochloride | F20461 | A827283 | Imidodicarbonimidic diamide, monohydrochloride | FT-0657095 | Triimidodicarbonic diamide--hydrogen chloride (1/1) | 1-(diaminomethylidene)guanidine;hydrochl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766992
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766992
• Sonrisas canónicas: C(=NC(=N)N)(N)N.Cl
• IUPAC Name: 1-(diaminomethylidene)guanidine;hydrochloride
• InChIKey: FKPUYTAEIPNGRM-UHFFFAOYSA-N
• INCHI: 1S/C2H7N5.ClH/c3-1(4)7-2(5)6;/h(H7,3,4,5,6,7);1H
• Isómeros SMILES: C(=NC(=N)N)(N)N.Cl
• Peso molecular: 137.57
• Reaxy-Rn: 9504857
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9504857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Biguanides
• Alternative Parents: Quaternary ammonium salts Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organic chloride salts Imines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Biguanide - Quaternary ammonium salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Imine - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.
• 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

• Peso molecular: 137.570 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 137.047 Da
• Monoisotopic Mass: 137.047 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.600
• 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. Xiangjie Chen, Hongbing Ran, Yue Zhao, Yulin Wang, Xu Han, Yiwen Tang, Shiyu Wang.  (2024)  Regulating Functional Groups to Construct a Mild Passivator Enhancing the Efficiency and Stability of Carbon-Based Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:39228118] [10.1021/acsami.4c08235]

2. Huxue He, Yong Zhu, Xiong Chang, Kunpeng Li, Mengni Zhou, Duo Xu, Fashe Li, Xing Zhu, Hua Wang, Jiangzhao Chen, Tao Zhu.  (2025)  Multifunctional Biguanide Salts as Efficient Defect Passivators for High-Performance Inverted Perovskite Solar Cells.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.5c00535]