2-[[(Butylamino)carbonyl]oxy]ethyl acrylate - ≥90% , CAS No.63225-53-6

CAS: 63225-53-6 Cat. No.: B777357 Molecular Weight: 215.25 EC Number: 264-036-0

GRADE & PURITY ≥90%

Synonyms

2-(N -Butylcarbamoyloxy)ethyl acrylate | 2-(N-butylcarbamoyloxy)ethyl acrylate | 2-[[(butylamino)carbonyl]oxy]ethyl acrylate

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

2-(N -Butylcarbamoyloxy)ethyl acrylate | 2-(N-butylcarbamoyloxy)ethyl acrylate | 2-[[(butylamino)carbonyl]oxy]ethyl acrylate

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CCCCNC(=O)OCCOC(=O)C=C
• IUPAC Name: 2-(butylcarbamoyloxy)ethyl prop-2-enoate
• InChIKey: FLKHVLRENDBIDB-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO4/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,13)
• Isomeric SMILES: CCCCNC(=O)OCCOC(=O)C=C
• Molecular Weight: 215.25
• Reaxy-Rn: 10434760
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10434760&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acid esters
• Alternative Parents: Enoate esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid ester - Carbamic acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
• 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；Heat sensitive
• Refractive Index: n20/D 1.46 (lit.)
• Flash Point(°F): 230.0 °F - closed cup
• Flash Point(°C): 110 °C - closed cup
• Molecular Weight: 215.250 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 215.116 Da
• Monoisotopic Mass: 215.116 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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

References

1. Linlin Hu, Shijie Zhou, Yi Tian, Luhan Wang, Meng Tian, Xuan Luo, Yangyang Feng.  (2025)  An Adhesion-Toughness-Balanced Binder for Stabilizing Silicon-Based Anodes in Pouch Cells.  ACS Applied Materials & Interfaces,      [PMID:41364112] [10.1021/acsami.5c17088]