Monopotassium 7-Amino-1,3-naphthalenedisulfonate Hydrate - ≥98%(HPLC) , CAS No.842-15-9

CAS: 842-15-9 Cat. No.: M158360 Molecular Weight: 341.39 Beilstein Registry Number: 14(3)2263 EC Number: 212-669-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID4061204 | SCHEMBL6421162 | AKOS027381823 | F87467 | EINECS 212-669-8 | AS-81647 | Potassium hydrogen 7-aminonaphthalene-1,3-disulphonate | potassium 7-amino-3-sulfonaphthalene-1-sulfonate | 1,3-Naphthalenedisulfonic acid, 7-amino-, monopotassium sal

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID4061204 | SCHEMBL6421162 | AKOS027381823 | F87467 | EINECS 212-669-8 | AS-81647 | Potassium hydrogen 7-aminonaphthalene-1, 3-disulphonate | potassium 7-amino-3-sulfonaphthalene-1-sulfonate | 1, 3-Naphthalenedisulfonic acid, 7-amino-, monopotassium sal

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)[O-])N.[K+]
• IUPAC Name: potassium;7-amino-3-sulfonaphthalene-1-sulfonate
• InChIKey: GOPRYBNRWIBTIH-UHFFFAOYSA-M
• INCHI: 1S/C10H9NO6S2.K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-1
• Isomeric SMILES: C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)[O-])N.[K+]
• Molecular Weight: 341.39
• Beilstein: 14(3)2263
• Reaxy-Rn: 4078228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4078228&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Primary amines Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Amine - Organic nitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused 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: 341.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 340.943 Da
• Monoisotopic Mass: 340.943 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 537.000
• 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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