3-Amino-1,5-naphthalenedisulfonic Acid Disodium Salt - ≥98% , CAS No.14170-43-5

CAS: 14170-43-5 Cat. No.: A151523 Peso molecular: 347.27

GRADE & PURITY ≥98%

Synonyms

NSC 9836 | Sodium3-aminonaphthalene-1,5-disulfonate | disodium;3-aminonaphthalene-1,5-disulfonate | EINECS 238-014-6 | 3-Amino-1,5-naphthalenedisulfonic Acid Disodium Salt | ethyl 3-(diethyl phosphono)propanoate | Disodium 3-Amino-1,5-naphthalenedisulfona

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC 9836 | Sodium3-aminonaphthalene-1, 5-disulfonate | disodium;3-aminonaphthalene-1, 5-disulfonate | EINECS 238-014-6 | 3-Amino-1, 5-naphthalenedisulfonic Acid Disodium Salt | ethyl 3-(diethyl phosphono)propanoate | Disodium 3-Amino-1, 5-naphthalenedisulfona

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=C(C=C2S(=O)(=O)[O-])N)C(=C1)S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;3-aminonaphthalene-1,5-disulfonate
• InChIKey: UZUODNWWWUQRIR-UHFFFAOYSA-L
• INCHI: 1S/C10H9NO6S2.2Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
• Isómeros SMILES: C1=CC2=C(C=C(C=C2S(=O)(=O)[O-])N)C(=C1)S(=O)(=O)[O-].[Na+].[Na+]
• Peso molecular: 347.27
• Reaxy-Rn: 4117152
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4117152&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 1-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 1-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 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 - Organic sodium salt - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-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

Propiedades químicas y físicas

• Peso molecular: 347.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 346.951 Da
• Monoisotopic Mass: 346.951 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 505.000
• 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: 3

XLogP3