Dexon - analytical standard, Moligand™ , CAS No.140-56-7

CAS: 140-56-7 Cat. No.: D343867 Molecular Weight: 251.24 EC Number: 205-419-4

GRADE & PURITY Analytical standard, Moligand™

Synonyms

DAPA (pesticide) | Fenaminosulf | 4-Dimethylaminobenzenediazosulfonic acid sodium salt | Phenaminosulf

Storage

Room temperature

Shipped In

Normal

Overview

A useful fungicide.

Specifications

Synonyms

DAPA (pesticide) | Fenaminosulf | 4-Dimethylaminobenzenediazosulfonic acid sodium salt | Phenaminosulf

Specifications & Purity

analytical standard, Moligand™

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard, Moligand™

Names and Identifiers

• Pubchem Sid: 504769553
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769553
• Canonical Smiles: CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;N-[4-(dimethylamino)phenyl]iminosulfamate
• InChIKey: IWDQPCIQCXRBQP-UHFFFAOYSA-M
• INCHI: 1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]
• UN Number: 2588
• Packing Group: I
• Molecular Weight: 251.24
• Reaxy-Rn: 3921950
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3921950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organic sulfuric acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Organic sulfuric acid or derivatives - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic sodium salt - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• External Descriptors: organic molecular entity

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: 251.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 251.034 Da
• Monoisotopic Mass: 251.034 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 318.000
• 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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