N-(Iodoacetaminoethyl)-1-naphthylamine-5-sulfonic acid - for fluorescence analysis, ≥93%(HPLC) , CAS No.36930-63-9

CAS: 36930-63-9 Cat. No.: I306001 Molecular Weight: 434.25 Beilstein Registry Number: 3004454 EC Number: 253-277-7

GRADE & PURITY for Fluorescence analysis, ≥93%(HPLC)

Synonyms

I-AED | 1,5-I-Aedans | 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid | NSC-328384 | N-(Iodoacetylaminoethyl)-5-naphthylamine-1-sulfonic acid | IAEDANS | 6V7G304M5M | 5-[2-(Iodoacetamido)ethylamino]naphthalene-1-sulfonic acid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

N-(Iodoacetaminoethyl)-1-naphthylamine-5-sulfonic acid is a fluorescent sulfhydryl reagent that is sensitive to photo catalyzed degradation in both organic solvents and aqueous solution. It readily reacts with both sulfhydryl groups and thiol compounds to provide photo stable covalent derivatives.
A thiol reactive fluorescent reagent

Specifications

Synonyms

I-AED | 1, 5-I-Aedans | 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid | NSC-328384 | N-(Iodoacetylaminoethyl)-5-naphthylamine-1-sulfonic acid | IAEDANS | 6V7G304M5M | 5-[2-(Iodoacetamido)ethylamino]naphthalene-1-sulfonic acid

Specifications & Purity

for fluorescence analysis, ≥93%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

for Fluorescence analysis

Purity

≥93%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CI
• IUPAC Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid
• InChIKey: ZMERMCRYYFRELX-UHFFFAOYSA-N
• INCHI: 1S/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)
• Isomeric SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CI
• Molecular Weight: 434.25
• Beilstein: 3004454
• Reaxy-Rn: 3004454
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3004454&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Secondary alkylarylamines Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Secondary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboximidic acid - Carboximidic acid derivative - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: 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: aminonaphthalenesulfonic acid

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;Moisture sensitive
• Molecular Weight: 434.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 433.98 Da
• Monoisotopic Mass: 433.98 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 480.000
• 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: 1