NSP-DMAE-NHS - BioReagent, ≥98%(HPLC) , CAS No.194357-64-7

CAS: 194357-64-7 Cat. No.: N664484 Molecular Weight: 590.60

GRADE & PURITY BioReagent, ≥98%(HPLC)

Synonyms

3-(9-((4-(((2,5-Dioxopyrrolidin-1-yl)oxy)carbonyl)-2,6-dimethylphenoxy)carbonyl)acridin-10-ium-10-yl)propane-1-sulfonate | 3-[9-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethylphenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate | SCHEMBL19564423

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-(9-((4-(((2, 5-Dioxopyrrolidin-1-yl)oxy)carbonyl)-2, 6-dimethylphenoxy)carbonyl)acridin-10-ium-10-yl)propane-1-sulfonate | 3-[9-[4-(2, 5-dioxopyrrolidin-1-yl)oxycarbonyl-2, 6-dimethylphenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate | SCHEMBL19564423

Specifications & Purity

BioReagent, ≥98%(HPLC)

Stability And Storage

Store at -20℃ long term (3 years). Store in the dark. Desiccated.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

BioReagent

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-])C)C(=O)ON5C(=O)CCC5=O
• IUPAC Name: 3-[9-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2,6-dimethylphenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate
• InChIKey: AAYSIOJYGRABGS-UHFFFAOYSA-N
• INCHI: 1S/C30H26N2O9S/c1-18-16-20(29(35)41-32-25(33)12-13-26(32)34)17-19(2)28(18)40-30(36)27-21-8-3-5-10-23(21)31(14-7-15-42(37,38)39)24-11-6-4-9-22(24)27/h3-6,8-11,16-17H,7,12-15H2,1-2H3
• Isomeric SMILES: CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-])C)C(=O)ON5C(=O)CCC5=O
• Molecular Weight: 590.60

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Phenol esters Pyridinecarboxylic acids Benzoic acids and derivatives m-Xylenes Phenoxy compounds Benzoyl derivatives Pyrrolidine-2-ones Pyridinium derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Dicarboximides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Organic salts Organic zwitterions Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Phenol ester - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Benzoic acid or derivatives - Phenoxy compound - M-xylene - Benzoyl - Xylene - Pyridine - Benzenoid - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Pyridinium - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine 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

• Sensitivity: Light sensitive; Hygroscopic
• Molecular Weight: 590.600 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 590.136 Da
• Monoisotopic Mass: 590.136 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1090.000
• 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