DMABA NHS ester - ≥98% , CAS No.58068-85-2

CAS: 58068-85-2 Cat. No.: D769805 Molecular Weight: 262.26 Beilstein Registry Number: 1479401 PubChem CID: 71312544

GRADE & PURITY ≥98%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

DMABA NHS ester is a reagent that reacts with the primary amine group of PE lipids.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)benzoate
• InChIKey: FNGFZOAQGYOQTG-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O4/c1-14(2)10-5-3-9(4-6-10)13(18)19-15-11(16)7-8-12(15)17/h3-6H,7-8H2,1-2H3
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O
• PubChem CID: 71312544
• Molecular Weight: 262.26
• Beilstein: 1479401

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: Aminobenzoic acids and derivatives
• Alternative Parents: Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Pyrrolidine-2-ones Dicarboximides Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Dicarboximide - Tertiary amine - Amino acid or derivatives - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
• 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

• Molecular Weight: 262.260 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 262.095 Da
• Monoisotopic Mass: 262.095 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 370.000
• 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