N,N-Dimethylacetoacetamide - ≥97%(GC) , CAS No.2044-64-6

CAS: 2044-64-6 Cat. No.: N159276 Molecular Weight: 129.16 EC Number: 218-059-8

GRADE & PURITY ≥97%(GC)

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,Argon charged,Desiccated,Cool

Shipped In

Normal

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

≥97%(GC)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504752743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752743
• 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

• Sensitivity: Moisture sensitive
• Refractive Index: 1.4690 to 1.4730
• Flash Point(°F): 251.6 °F
• Flash Point(°C): 123°C
• Boil Point(°C): 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

References

1. Rong Zhang, Renzhi Li, Peng Xu, Wenhuan Zhong, Yifan Zhang, Zhenyang Luo, Bo Xiang.  (2023)  Thermochromic smart window utilizing passive radiative cooling for Self-Adaptive thermoregulation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144527]

2. Guoxiang Xie, Yifan Li, Jing Luo, Changheng Wu, Mengran Cao, Dahai Zhu, Xinfeng Wu, Huaqing Xie, Wei Yu.  (2024)  Scalable Fabrication of Thermochromic Smart Windows for Broadening Temperature Ranges and Their Coupled Thermoelectric Power Generation.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c06135]

3. Xin Li, Qi-wen Ma, Guang-ning Yu, Ji Shi, Hai-yang Chang, Rong-rong Zheng, San-jun Fan, Cheng Wang.  (2025)  Preparation of hollow mesoporous silica/polyimide composite films and study of their properties.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.29506]