N,N-DIMETHYL-2-PHENYLACETAMIDE - ≥95% , CAS No.18925-69-4

CAS: 18925-69-4 Cat. No.: N168191 Molecular Weight: 163.221 EC Number: 621-404-9

GRADE & PURITY ≥95%

Synonyms

DTXSID10172328 | MFCD00157672 | Acetamide, N,N-dimethyl-2-phenyl- | AKOS003555709 | AS-80661 | NSC 406499 | AB01332025-02 | STK068586 | XSG27XD6F9 | Acetamide, N,N-dimethyl-2-phenyl- (8CI) | N,N-Dimethyl-2-phenylacetamide | n,n-dimethyl-2-phenyl-acetamide

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID10172328 | MFCD00157672 | Acetamide, N, N-dimethyl-2-phenyl- | AKOS003555709 | AS-80661 | NSC 406499 | AB01332025-02 | STK068586 | XSG27XD6F9 | Acetamide, N, N-dimethyl-2-phenyl- (8CI) | N, N-Dimethyl-2-phenylacetamide | n, n-dimethyl-2-phenyl-acetamide

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186449
• Canonical Smiles: CN(C)C(=O)CC1=CC=CC=C1
• IUPAC Name: N,N-dimethyl-2-phenylacetamide
• InChIKey: FHVMATOIMUHQRC-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO/c1-11(2)10(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• Isomeric SMILES: CN(C)C(=O)CC1=CC=CC=C1
• Molecular Weight: 163.221
• Reaxy-Rn: 1448134
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1448134&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Tertiary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

• Molecular Weight: 163.220 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.1 Da
• Monoisotopic Mass: 163.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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