N-N-Dimethylacetamide(DMAC) - AR, ≥99% , CAS No.127-19-5

CAS: 127-19-5 Cat. No.: D108096 Formula: C₄H₉NO Molecular Weight: 87.12 Beilstein Registry Number: 1737614 EC Number: 204-826-4

GRADE & PURITY AR, ≥99%

Synonyms

Q411452 | N,N-DIMETHYLACETAMIDE (II) | N,N-Dimethylacetamide, AR, >=99.5% | Dimethylacetamide; N,N-Dimethylacetamide | DTXCID90499 | N,N-DIMETHYLACETAMIDE [MI] | N,N-Dimethylacetamide, for HPLC, >=99.9% | N,N-Dimethylacetamide, HPLC Grade | C20339 | N,N-D

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Q411452 | N,N-DIMETHYLACETAMIDE (II) | N,N-Dimethylacetamide, AR, >=99.5% | Dimethylacetamide; N,N-Dimethylacetamide | DTXCID90499 | N,N-DIMETHYLACETAMIDE [MI] | N,N-Dimethylacetamide, for HPLC, >=99.9% | N,N-Dimethylacetamide, HPLC Grade | C20339 | N,N-D

Specifications & Purity

AR, ≥99%

Storage

Room temperature,Desiccated

Shipped In

Normal

Grade

AR

Purity

≥99%

Names and Identifiers

Pubchem Sid

508810764

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810764

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible
• Sensitivity: 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