N,N-Diethylacetamide - ≥99%(GC) , CAS No.685-91-6

CAS: 685-91-6 Cat. No.: I136012 Molecular Weight: 115.18 Beilstein Registry Number: 4(4)349 EC Number: 211-685-2

GRADE & PURITY ≥99%(GC)

Synonyms

N-Acetyldiethylamine

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

N,N-Diethylacetamide was used to investigate the spectroscopic properties ofN,N-diethyl-2-[(4-substituted)phenylsulfinyl] acetamides. It is commonly used as drug solvent.

Specifications

Synonyms

N-Acetyldiethylamine

Specifications & Purity

≥99%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488181717
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181717
• Canonical Smiles: CCN(CC)C(=O)C
• IUPAC Name: N,N-diethylacetamide
• InChIKey: AJFDBNQQDYLMJN-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
• Isomeric SMILES: CCN(CC)C(=O)C
• WGK Germany: 3
• RTECS: AB7000000
• Molecular Weight: 115.18
• Beilstein: 4(4)349
• Reaxy-Rn: 1209428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209428&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: 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

• Solubility: Soluble in water.
• Sensitivity: Air sensitive
• Refractive Index: 1.44
• Flash Point(°F): 169°F
• Flash Point(°C): 78°C(lit.)
• Boil Point(°C): 182-186 °C
• Molecular Weight: 115.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.600
• 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

References

1. Zhao Zhongqian, Chen Xiumin, Wu Jian, Wang Wenjing, He Bingyang, Yin Qi, Xu Peilin, Liu Li.  (2022)  A Study of the Mechanism of Particle Size Control of Ferrous Oxalate Dihydrate by N,N-Diethylacetamide.  JOURNAL OF SOLUTION CHEMISTRY,  51  (7): (735-751).  [PMID:] [10.1007/s10953-022-01159-x]

2. Gaowa Jin, Lijie Liu, Yuanliu Yang, Yan Zhang, Ping Zhao, Dongping Yu, Yongzheng Zhou, Zhimou Guo, Hui Wang, Xinmiao Liang.  (2022)  Preparative chromatography behavior of palmitoleic acid on octadecyl stationary phases with different densities.  JOURNAL OF SEPARATION SCIENCE,  45  (11): (1866-1873).  [PMID:35324071] [10.1002/jssc.202101021]

3. Zitao Shen, Zhuo Wang, Pengfei Ye, Lihong Guo, Sheng Peng, Yuefan Liu, Yongsheng Cui, Juan Zheng, Gangfeng Ouyang.  (2025)  Highly hydrophobic calixarene polymers for efficient enrichment of polar nitrobenzene compounds.  TALANTA,      [PMID:39778492] [10.1016/j.talanta.2025.127555]