N-Succinimidyl N-(2,4-dinitrophenyl)-6-aminocaproate - ≥97% , CAS No.82321-04-8

CAS: 82321-04-8 Cat. No.: N137850 Molecular Weight: 394.34 EC Number: 679-788-9

GRADE & PURITY ≥97%

Synonyms

IYBNUJCDIAGXNX-UHFFFAOYSA-N | HY-D1050 | 2,5-Dioxopyrrolidin-1-yl 6-((2,4-dinitrophenyl)amino)hexanoate | AKOS015894369 | 2,5-Dioxopyrrolidin-1-yl6-((2,4-dinitrophenyl)amino)hexanoate | N-Succinimidyl N-(2,4-dinitrophenyl)-6-aminocaproate, >=95% (HPLC) |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

application：

N-(2,4-Dinitrophenyl)-6-aminocaproic acid N-succinimidyl ester is an amine-reactive DNP-X succinimidyl ester that may be used to create bioconjugates that may be detected with anti-dinitrophenyl (anti-DNP) antibodies.

Specifications

Synonyms

IYBNUJCDIAGXNX-UHFFFAOYSA-N | HY-D1050 | 2, 5-Dioxopyrrolidin-1-yl 6-((2, 4-dinitrophenyl)amino)hexanoate | AKOS015894369 | 2, 5-Dioxopyrrolidin-1-yl6-((2, 4-dinitrophenyl)amino)hexanoate | N-Succinimidyl N-(2, 4-dinitrophenyl)-6-aminocaproate, >=95% (HPLC) |

Specifications & Purity

≥97%

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.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504768250
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768250
• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-(2,4-dinitroanilino)hexanoate
• InChIKey: IYBNUJCDIAGXNX-UHFFFAOYSA-N
• INCHI: 1S/C16H18N4O8/c21-14-7-8-15(22)18(14)28-16(23)4-2-1-3-9-17-12-6-5-11(19(24)25)10-13(12)20(26)27/h5-6,10,17H,1-4,7-9H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Molecular Weight: 394.34
• Reaxy-Rn: 9661832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9661832&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinitroanilines
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Pyrrolidine-2-ones Dicarboximides Lactams Amino acids and derivatives Carboxylic acid salts Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Amino acid or derivatives - Carboxylic acid salt - Lactam - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organic salt - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
• 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: Moisture sensitive.
• Molecular Weight: 394.340 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 394.112 Da
• Monoisotopic Mass: 394.112 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 613.000
• 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