4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate - ≥95% , CAS No.155601-30-2

CAS: 155601-30-2 Cat. No.: D181753 Molecular Weight: 240.2 EC Number: 605-017-2

GRADE & PURITY ≥95%

Synonyms

AKOS015856642 | 4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate | IBCDZZHMNXXYAP-UHFFFAOYSA-N | 4,5-Diamino-1-(2-hydroxy)ethyl pyrazole sulfate | AC-8151 | MFCD07368638 | 2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol sulfate | SY021155 | 04N8KX12N6 | 1-Hydroxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS015856642 | 4, 5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate | IBCDZZHMNXXYAP-UHFFFAOYSA-N | 4, 5-Diamino-1-(2-hydroxy)ethyl pyrazole sulfate | AC-8151 | MFCD07368638 | 2-(4, 5-Diamino-1H-pyrazol-1-yl)ethan-1-ol sulfate | SY021155 | 04N8KX12N6 | 1-Hydroxy

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504766639
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766639
• Canonical Smiles: C1=NN(C(=C1N)N)CCO.OS(=O)(=O)O
• IUPAC Name: 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid
• InChIKey: IBCDZZHMNXXYAP-UHFFFAOYSA-N
• INCHI: 1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-5(2,3)4/h3,10H,1-2,6-7H2;(H2,1,2,3,4)
• Isomeric SMILES: C1=NN(C(=C1N)N)CCO.OS(=O)(=O)O
• Alternate CAS: 155601-17-5
• Molecular Weight: 240.2
• Reaxy-Rn: 11322452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322452&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfuric acid - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Alkanolamine - Amine - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
• 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

• Molecular Weight: 240.240 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 240.053 Da
• Monoisotopic Mass: 240.053 Da
• Topological Polar Surface Area: 173.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• 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: 2

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