N,N-Dimethylacetoacetamide solution - 80% in H2O , CAS No.2044-64-6

CAS: 2044-64-6 Cat. No.: N432293 Formula: C₆H₁₁NO₂ Molecular Weight: 129.16 EC Number: 218-059-8

GRADE & PURITY 80% in H2O

Synonyms

Acetoacetamide,N-dimethyl- | NCGC00249133-01 | CAS-2044-64-6 | N,N-DIMETHYL-2-ACETOACETAMIDE | STL183263 | Butanamide, N,N-dimethyl-3-oxo- | 4-PHENYL-2-(PYRIDIN-4-YL)OXAZOLE-5-CARBOXYLICACID | Acetylacetamide,N-dimethyl- | EINECS 218-059-8 | F0001-0723 |

Storage

Room temperature

Overview

General Description

The product is an 80% solution of N , N -dimethylacetoacetamide (DMAA) in water.

Specifications

Synonyms

Acetoacetamide,N-dimethyl- | NCGC00249133-01 | CAS-2044-64-6 | N,N-DIMETHYL-2-ACETOACETAMIDE | STL183263 | Butanamide, N,N-dimethyl-3-oxo- | 4-PHENYL-2-(PYRIDIN-4-YL)OXAZOLE-5-CARBOXYLICACID | Acetylacetamide,N-dimethyl- | EINECS 218-059-8 | F0001-0723 |

Specifications & Purity

80% in H2O

Storage

Room temperature

Names and Identifiers

Canonical Smiles

CC(=O)CC(=O)N(C)C

IUPAC Name

N,N-dimethyl-3-oxobutanamide

InChIKey

YPEWWOUWRRQBAX-UHFFFAOYSA-N

INCHI

1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3

Isomeric SMILES

CC(=O)CC(=O)N(C)C

RTECS

AK4035000

Molecular Weight

129.16

Reaxy-Rn

1755038

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1755038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Ketones Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - N-acyl-amine - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - 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 n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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

• x_refractive_index: 1.4690 to 1.4730
• x_flash_point_drop_fahrenheit: 251.6 °F
• x_flash_point_drop_centigrade: 123°C
• x_boil_point_char: 220 °C
• Molecular Weight: 129.160 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.079 Da
• Monoisotopic Mass: 129.079 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 129.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2044-64-6, the molecular formula is C6H11NO2, and the molecular weight is 129.16 g/mol. InChIKey YPEWWOUWRRQBAX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.