Acryloyl-X SE - ≥97% , CAS No.63392-86-9

CAS: 63392-86-9 Cat. No.: D589747 Molecular Weight: 282.29

GRADE & PURITY ≥97%

Synonyms

Acryloyl-X SE | BS-48736 | (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate | Hexanoic acid,6-[(1-oxo-2-propen-1-yl)amino]-,2,5-dioxo-1-pyrrolidinyl ester | 6-((Acryloyl)amino)hexanoic acid succinimidyl ester | E75748 | Hexanoic acid, 6-[(1-oxo-2

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Acryloyl-X SE | BS-48736 | (2, 5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate | Hexanoic acid, 6-[(1-oxo-2-propen-1-yl)amino]-, 2, 5-dioxo-1-pyrrolidinyl ester | 6-((Acryloyl)amino)hexanoic acid succinimidyl ester | E75748 | Hexanoic acid, 6-[(1-oxo-2

Specifications & Purity

≥97%

Storage

Protected from light, 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: 508811673
• Canonical Smiles: C=CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-(prop-2-enoylamino)hexanoate
• InChIKey: AQKLDBRFLGEHCJ-UHFFFAOYSA-N
• INCHI: 1S/C13H18N2O5/c1-2-10(16)14-9-5-3-4-6-13(19)20-15-11(17)7-8-12(15)18/h2H,1,3-9H2,(H,14,16)
• Isomeric SMILES: C=CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
• Molecular Weight: 282.29
• Reaxy-Rn: 1487793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1487793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Acrylic acids and derivatives Secondary carboxylic acid amides Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Acrylic acid or derivatives - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine 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，Moisture sensitive，Heat sensitive，Air sensitive
• Melt Point(°C): 120 °C
• Molecular Weight: 282.290 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 282.122 Da
• Monoisotopic Mass: 282.122 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 403.000
• 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