DNP-PEG4-NHS ester - ≥95% , CAS No.858126-78-0

CAS: 858126-78-0 Cat. No.: D336181 Peso molecular: 528.47

GRADE & PURITY ≥95%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771042
• Sonrisas canónicas: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: OZBOCCBKQAMCSA-UHFFFAOYSA-N
• INCHI: 1S/C21H28N4O12/c26-19-3-4-20(27)23(19)37-21(28)5-7-33-9-11-35-13-14-36-12-10-34-8-6-22-17-2-1-16(24(29)30)15-18(17)25(31)32/h1-2,15,22H,3-14H2
• Isómeros SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Peso molecular: 528.47
• Reaxy-Rn: 29231042
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29231042&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Organic zwitterions 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 - Lactam - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic salt - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 528.500 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 18
• Exact Mass: 528.17 Da
• Monoisotopic Mass: 528.17 Da
• Topological Polar Surface Area: 204.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 756.000
• 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