N,N-Dimethylacetamide - Ultra dry, ≥99.8%, water≤50 ppm , CAS No.127-19-5

CAS: 127-19-5 Cat. No.: D1521168 Formula: C₄H₉NO Molecular Weight: 87.12 Beilstein Registry Number: 1737614 EC Number: 204-826-4

GRADE & PURITY Ultra dry, ≥99.8%, water≤50 ppm

Synonyms

N-Acetyldimethylamine | DMA

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

N,N-Dimethylacetamide is an organic compound that has been utilized as a non-polar solvent.

Product Introduction: N,N-Dimethylacetamide can be used as a solvent in the following processes:

· In the catalytic reaction of palladium acetate and n-butyl di(1-hexylphosphine) to form 2-isobutylthiazole with chlorobenzene, a 5-phenyl-2-isobutylthiazole is produced.

· To synthesize β-, γ-, and δ-metal ester intermediates, which can react with acyl chloride compounds to form γ-, δ-, and ε-ketones.

· To synthesize (R)-(-)-methyl-1,1'-biphenylene-2,2'-diyl phosphate ester, which can be used as a precursor for preparing (R)-(+)-1,1'-biphenylene-2,2'-diol.

Specifications

Synonyms

N-Acetyldimethylamine | DMA

Specifications & Purity

Ultra dry, ≥99.8%, water≤50 ppm

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Grade

Ultra dry

Purity

≥99.8%

Names and Identifiers

Canonical Smiles

CC(=O)N(C)C

IUPAC Name

N,N-dimethylacetamide

InChIKey

FXHOOIRPVKKKFG-UHFFFAOYSA-N

INCHI

1S/C4H9NO/c1-4(6)5(2)3/h1-3H3

Isomeric SMILES

CC(=O)N(C)C

WGK Germany

1

RTECS

AB7700000

UN Number

2810

Packing Group

I

Molecular Weight

87.12

Beilstein

1737614

Reaxy-Rn

1737614

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737614&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 Tertiary 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: Tertiary carboxylic acid amides
• Alternative Parents: Acetamides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Tertiary 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 tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• External Descriptors: a small molecule

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: Hygroscopic;Moisture sensitive
• Refractive Index: 1.4373
• Flash Point(°F): 147.2 °F
• Flash Point(°C): 70℃
• Boil Point(°C): 163-165°C
• Melt Point(°C): -20°C
• Molecular Weight: 87.120 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 58.600
• 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

What is the purity of this product?

This product is supplied at ≥99.8% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Ultra dry mean?

Ultra dry indicates that the material has been processed and tested for moisture-sensitive chemistry. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store in a cool place, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 127-19-5, the molecular formula is C4H9NO, and the molecular weight is 87.12 g/mol. InChIKey FXHOOIRPVKKKFG-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.