Aminoguanidine hemisulfate salt - ≥98% , CAS No.996-19-0

CAS: 996-19-0 Cat. No.: A111133 Molecular Weight: 123.12 EC Number: 213-628-7

GRADE & PURITY ≥98%

Synonyms

Tox21_111552_1 | DTXSID0046016 | pimagedine hemisulfate | Di(carbazamidine) sulphate | Aminoguanidine hemisulfate | R13YB310MU | Hydrazinecarboximidamide hemisulfate | aminoguanidinesulfate | CCG-204146 | NCGC00015082-09 | HMS3260I21 | W-100028 | Hydrazin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Tox21_111552_1 | DTXSID0046016 | pimagedine hemisulfate | Di(carbazamidine) sulphate | Aminoguanidine hemisulfate | R13YB310MU | Hydrazinecarboximidamide hemisulfate | aminoguanidinesulfate | CCG-204146 | NCGC00015082-09 | HMS3260I21 | W-100028 | Hydrazin

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192691
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192691
• Canonical Smiles: C(=NN)(N)N.C(=NN)(N)N.OS(=O)(=O)O
• IUPAC Name: 2-aminoguanidine;sulfuric acid
• InChIKey: VKGQPUZNCZPZKI-UHFFFAOYSA-N
• INCHI: 1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)
• Isomeric SMILES: C(=NN)(N)N.C(=NN)(N)N.OS(=O)(=O)O
• WGK Germany: 2
• Molecular Weight: 123.12
• Reaxy-Rn: 18538574
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18538574&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Guanidines Hydrazones Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic sulfuric acid or derivatives - Guanidine - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
• 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

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Melt Point(°C): 200°C
• Molecular Weight: 246.250 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 246.086 Da
• Monoisotopic Mass: 246.086 Da
• Topological Polar Surface Area: 264.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 123.000
• 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. Li Fu, Zerui Liu, Pengjie Dong, Yingshu Guo.  (2023)  Electrochemiluminescence Mechanistic Insights of CuInS2/ZnS Nanocrystals with Hydrazine Compounds as Co-reactants.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.3c06277]

2. Lei Wang, Wan-Yang Xu, Yi-Wen Tang, Feng Hu.  (2022)  Nitrative inactivation of thioredoxin-1 loses its protective effect in bleomycin-induced pulmonary fibrosis.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:36087509] [10.1016/j.intimp.2022.109208]