1,3-Diaminoguanidine monohydrochloride - ≥97% , CAS No.36062-19-8

CAS: 36062-19-8 Cat. No.: D109093 Molecular Weight: 125.56 Beilstein Registry Number: 3(4)241 EC Number: 252-854-0

GRADE & PURITY ≥97%

Synonyms

AI3-61507 | AKOS015848280 | N,N'-Diaminoguanidine HCl | 1,3-Diaminoguanidine monohydrochloride, 98% | AKOS015902501 | N,N'-Diaminoguanidine hydrochloride | UNII-014Y506OEG | EC 252-854-0 | EINECS 253-900-2 | n,n'-diaminoguanidine monohydrochloride | AS-15

Storage

Room temperature

Shipped In

Normal

Overview

1,3-Diaminoguanidine monohydrochloride undergoes condensation reaction with:

· 4-isothiocyanato-4-methylpentane-2-one to yield condensed pyrimidines

· various aldehydes and ketones to yield bis guanidine derivatives

N,N'-Diaminoguanidine Monohydrochloride is an analyte for HPLC. It also functions as an intermediate for the synthesis of energetic salts or materials based on dinitroguanidine.

Specifications

Synonyms

AI3-61507 | AKOS015848280 | N, N'-Diaminoguanidine HCl | 1, 3-Diaminoguanidine monohydrochloride, 98% | AKOS015902501 | N, N'-Diaminoguanidine hydrochloride | UNII-014Y506OEG | EC 252-854-0 | EINECS 253-900-2 | n, n'-diaminoguanidine monohydrochloride | AS-15

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196279
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196279
• Canonical Smiles: C(=NN)(N)NN.Cl
• IUPAC Name: 1,2-diaminoguanidine;hydrochloride
• InChIKey: HAZRIBSLCUYMQP-UHFFFAOYSA-N
• INCHI: 1S/CH7N5.ClH/c2-1(5-3)6-4;/h3-4H2,(H3,2,5,6);1H
• Isomeric SMILES: C(=N\N)(\N)/NN.Cl
• WGK Germany: 3
• Molecular Weight: 125.56
• Beilstein: 3(4)241
• Reaxy-Rn: 4259190
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4259190&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrazidines
• Alternative Parents: Guanidines Hydrazones Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrazidine - Guanidine - Hydrazone - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrazidines. These are hydrazine derivatives with the general formula RC(NHNH2)2=NNH2.
• 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: water: soluble 50 mg/mL, clear to very slightly hazy, colorless to faintly yellow
• Sensitivity: Moisture sensitive
• Melt Point(°C): 180-182°C
• Molecular Weight: 125.560 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 125.047 Da
• Monoisotopic Mass: 125.047 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 55.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

References

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