1,2,4-Triazole-1-carboximidamide Hydrochloride - ≥98% , CAS No.19503-26-5

CAS: 19503-26-5 Cat. No.: T132946 Molecular Weight: 147.57 Beilstein Registry Number: 9500271 EC Number: 606-331-2 PubChem CID: 16218515

GRADE & PURITY ≥98%

Synonyms

A25410 | 1H-1,2,4-Triazole-1-carboximidamide--hydrogen chloride (1/1) | DTXSID60584957 | AB9992 | C3H6ClN5 | 1,2,4-triazole-1-carboximidamide;hydrochloride | 1-Amidino-1H-1,2,4-triazole hydrochloride | 1H-1,2,4-triazole-1-carboximidamide monohydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Guanylating agent using water and alcohols as solvents, high yields, mild conditions;

Specifications

Synonyms

A25410 | 1H-1, 2, 4-Triazole-1-carboximidamide--hydrogen chloride (1/1) | DTXSID60584957 | AB9992 | C3H6ClN5 | 1, 2, 4-triazole-1-carboximidamide;hydrochloride | 1-Amidino-1H-1, 2, 4-triazole hydrochloride | 1H-1, 2, 4-triazole-1-carboximidamide monohydrochloride

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504768347
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768347
• Canonical Smiles: C1=NN(C=N1)C(=N)N.Cl
• IUPAC Name: 1,2,4-triazole-1-carboximidamide;hydrochloride
• InChIKey: JDDXNENZFOOLTP-UHFFFAOYSA-N
• INCHI: 1S/C3H5N5.ClH/c4-3(5)8-2-6-1-7-8;/h1-2H,(H3,4,5);1H
• Isomeric SMILES: C1=NN(C=N1)C(=N)N.Cl
• WGK Germany: 3
• PubChem CID: 16218515
• Molecular Weight: 147.57
• Beilstein: 9500271

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Formamidines Carboximidamides Azacyclic compounds Organic chloride salts Imines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Guanidine - Formamidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amidine - Hydrocarbon derivative - Organic chloride salt - Organic salt - Imine - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• 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 water
• Melt Point(°C): 199°C
• Molecular Weight: 147.570 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.031 Da
• Monoisotopic Mass: 147.031 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.800
• 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

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