N-Hydroxysulphosuccinimidyl-4-azidobenzoate - ≥90% , CAS No.199804-22-3

CAS: 199804-22-3 Cat. No.: N344997 Molecular Weight: 340.27 EC Number: 811-372-6 PubChem CID: 10290999

GRADE & PURITY ≥90%

Synonyms

1-(4-azidobenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid | Benzoic acid, 4-azido-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester | AKOS030240600 | SCHEMBL15355103 | J-012914 | N-Hydroxysulphosuccinimidyl-4-azidobenzoate | DTXSID50437822 | 3-Pyrrolidinesulfonic

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-(4-azidobenzoyl)oxy-2, 5-dioxopyrrolidine-3-sulfonic acid | Benzoic acid, 4-azido-, 2, 5-dioxo-3-sulfo-1-pyrrolidinyl ester | AKOS030240600 | SCHEMBL15355103 | J-012914 | N-Hydroxysulphosuccinimidyl-4-azidobenzoate | DTXSID50437822 | 3-Pyrrolidinesulfonic

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥90%

Names and Identifiers

• Canonical Smiles: C1C(C(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)O
• IUPAC Name: 1-(4-azidobenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
• InChIKey: ULSXSHDMKGETEK-UHFFFAOYSA-N
• INCHI: 1S/C11H8N4O7S/c12-14-13-7-3-1-6(2-4-7)11(18)22-15-9(16)5-8(10(15)17)23(19,20)21/h1-4,8H,5H2,(H,19,20,21)
• Isomeric SMILES: C1C(C(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)O
• PubChem CID: 10290999
• Molecular Weight: 340.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Phenylazides Pyrrolidine-2-ones Alkanesulfonic acids Sulfonyls Dicarboximides Organosulfonic acids Lactams Azo compounds Azo imides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Phenylazide - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Azo imide - Azo compound - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a 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

• Solubility: Soluble in water.
• Sensitivity: moisture sensitive
• Molecular Weight: 340.270 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 340.011 Da
• Monoisotopic Mass: 340.011 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 671.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1