2-Amino-4-hydroxyethylaminoanisole sulfate - ≥95% , CAS No.83763-48-8

CAS: 83763-48-8 Cat. No.: H195235 Molecular Weight: 280.3 EC Number: 280-734-8

GRADE & PURITY ≥95%

Synonyms

DTXSID30892455 | AC-8294 | 2-Amino-4-hydroxyethylaminoanisole sulfate | 2-Amino-4-hydroxyethylamino anisole sulfate | Q27291147 | 2-[(3-amino-4-methoxyphenyl)amino]ethan-1-ol; sulfuric acid | 2-(3-amino-4-methoxyphenylamino)ethanol sulfate | 2-AMINO-4-HYD

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID30892455 | AC-8294 | 2-Amino-4-hydroxyethylaminoanisole sulfate | 2-Amino-4-hydroxyethylamino anisole sulfate | Q27291147 | 2-[(3-amino-4-methoxyphenyl)amino]ethan-1-ol; sulfuric acid | 2-(3-amino-4-methoxyphenylamino)ethanol sulfate | 2-AMINO-4-HYD

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504767646
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767646
• Canonical Smiles: COC1=C(C=C(C=C1)NCCO)N.OS(=O)(=O)O
• IUPAC Name: 2-(3-amino-4-methoxyanilino)ethanol;sulfuric acid
• InChIKey: GWHLYFOWAINYAH-UHFFFAOYSA-N
• INCHI: 1S/C9H14N2O2.H2O4S/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;1-5(2,3)4/h2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)
• Isomeric SMILES: COC1=C(C=C(C=C1)NCCO)N.OS(=O)(=O)O
• Molecular Weight: 280.3
• Reaxy-Rn: 11343479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Organic sulfuric acids 1,2-aminoalcohols Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Sulfuric acid - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Alkanolamine - Secondary amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 280.300 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 280.073 Da
• Monoisotopic Mass: 280.073 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 225.000
• 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

XLogP3