2,4-Diaminoanisole Sulfate Hydrate - ≥98%(HPLC) , CAS No.6219-67-6

CAS: 6219-67-6 Cat. No.: D154686 Molecular Weight: 236.24 EC Number: 228-290-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

CCRIS 3513 | Ursol SLA | AC-11639 | D1309 | Nako TSA | CAS-39156-41-7 | 1,3-Benzenediamine, 4-methoxy, sulfate | 1,3-Benzenediamine, 4-methoxy-, sulfate | 1,3-Benzenediamine, 4-methoxy-, sulfate (1:1) | A824429 | HSDB 5076 | m-Phenylenediamine, 4-methoxy-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

CCRIS 3513 | Ursol SLA | AC-11639 | D1309 | Nako TSA | CAS-39156-41-7 | 1, 3-Benzenediamine, 4-methoxy, sulfate | 1, 3-Benzenediamine, 4-methoxy-, sulfate | 1, 3-Benzenediamine, 4-methoxy-, sulfate (1:1) | A824429 | HSDB 5076 | m-Phenylenediamine, 4-methoxy-

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488183298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183298
• Canonical Smiles: COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O
• IUPAC Name: 4-methoxybenzene-1,3-diamine;sulfuric acid
• InChIKey: FDJQHYWUHGBBTO-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
• Isomeric SMILES: COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O
• RTECS: ST2705000
• Alternate CAS: 39156-41-7
• Molecular Weight: 236.24
• Reaxy-Rn: 8397141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8397141&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 Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic sulfuric acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Sulfuric acid - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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

• Molecular Weight: 236.250 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 236.047 Da
• Monoisotopic Mass: 236.047 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• 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