Methacrylamide - ≥98% , CAS No.79-39-0

CAS: 79-39-0 Cat. No.: M104042 Formula: C₄H₇NO Molecular Weight: 85.1 Beilstein Registry Number: 605397 EC Number: 201-202-3

GRADE & PURITY ≥98%

Synonyms

AKOS000121166 | alpha-Methyl acrylic amide | EPA Pesticide Chemical Code 052901 | M0077 | Methacrylamide 2-Methylpropenamide | methyl acrylamide | Tox21_300001 | EINECS 201-202-3 | Methacrylic amide | 2-methylprop-2-enamide | Methacrylamide, purum, >=98.0

Storage

Room temperature

Shipped In

Normal

Overview

Application

Methacrylamide is a reagent used in the production of polymers and copolymers. It is also used as a raw material in the production of chemicals for industrial and professional use such as textiles, leather, fur, bulk, large scale chemicals (including petroleum products), fine chemicals, formulation [mixing] of preparations and/or re-packaging (excluding alloys), building and construction work, electricity, steam, gas, water supply and sewage treatment.

Specifications

Synonyms

AKOS000121166 | alpha-Methyl acrylic amide | EPA Pesticide Chemical Code 052901 | M0077 | Methacrylamide 2-Methylpropenamide | methyl acrylamide | Tox21_300001 | EINECS 201-202-3 | Methacrylic amide | 2-methylprop-2-enamide | Methacrylamide, purum, >=98.0

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751136

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751136

Canonical Smiles

CC(=C)C(=O)N

IUPAC Name

2-methylprop-2-enamide

InChIKey

FQPSGWSUVKBHSU-UHFFFAOYSA-N

INCHI

1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)

Isomeric SMILES

CC(=C)C(=O)N

WGK Germany

1

RTECS

UC6475000

Molecular Weight

85.1

Beilstein

605397

Reaxy-Rn

605397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• External Descriptors: acrylamides

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

Associated Targets(Human)

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (202g/L at 20°C)
• Sensitivity: Moisture sensitive.
• x_boil_point_char: 215 °C
• x_melt_point_char: 106-110°C
• Molecular Weight: 85.100 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 85.0528 Da
• Monoisotopic Mass: 85.0528 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 85.500
• 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