2-(2-Hydroxy)ethyl-p-phenylene diamino sulfate - ≥95% , CAS No.93841-25-9

CAS: 93841-25-9 Cat. No.: H305004 Molecular Weight: 250.28 EC Number: 298-995-1

GRADE & PURITY ≥95%

Synonyms

2-(2,5-diaminophenyl)ethan-1-ol; sulfuric acid | 2-(2,5-Diaminophenyl)ethanol sulfate | 2-(2,5-DIAMINOPHENYL)ETHANOL SULFATE (1:1) | HYDROXYETHYL-P-PHENYLENEDIAMINE SULFATE [INCI] | Q27282848 | Benzeneethanol, 2,5-diamino-, sulfate (1:1) (salt) (9CI); 2-(

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-(2, 5-diaminophenyl)ethan-1-ol; sulfuric acid | 2-(2, 5-Diaminophenyl)ethanol sulfate | 2-(2, 5-DIAMINOPHENYL)ETHANOL SULFATE (1:1) | HYDROXYETHYL-P-PHENYLENEDIAMINE SULFATE [INCI] | Q27282848 | Benzeneethanol, 2, 5-diamino-, sulfate (1:1) (salt) (9CI); 2-(

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: 504770381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770381
• Canonical Smiles: C1=CC(=C(C=C1N)CCO)N.OS(=O)(=O)O
• IUPAC Name: 2-(2,5-diaminophenyl)ethanol;sulfuric acid
• InChIKey: VBSLNFWECRRALP-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O.H2O4S/c9-7-1-2-8(10)6(5-7)3-4-11;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)
• Isomeric SMILES: C1=CC(=C(C=C1N)CCO)N.OS(=O)(=O)O
• Packing Group: III
• Molecular Weight: 250.28
• Reaxy-Rn: 11322226
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322226&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Organic sulfate salts Organic sulfuric acids and derivatives Primary alcohols Organic zwitterions Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic sulfate salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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: 250.270 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 250.062 Da
• Monoisotopic Mass: 250.062 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 200.000
• 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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