N-(1-Phenylethyl)acetamide - ≥95% , CAS No.36065-27-7

CAS: 36065-27-7 Cat. No.: D303544 Formule: C₁₀H₁₃NO Poids moléculaire: 163.22 Numéro CE: 969-796-3

GRADE & PURITY ≥95%

Synonyms

Acetamide, N-(.alpha.-methylbenzyl)- | SY007036 | Cambridge id 5108520 | sodium (E)-3-((4-aminophenyl)diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate | SY317424 | A918552 | N-alpha-phenylethylacetamide | STK028689 | SR-01000554108-1 | SB46741 | (+)-N-(

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

Acetamide, N-(.alpha.-methylbenzyl)- | SY007036 | Cambridge id 5108520 | sodium (E)-3-((4-aminophenyl)diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate | SY317424 | A918552 | N-alpha-phenylethylacetamide | STK028689 | SR-01000554108-1 | SB46741 | (+)-N-(

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488188696
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188696
• Sourires canoniques: CC(C1=CC=CC=C1)NC(=O)C
• IUPAC Name: N-(1-phenylethyl)acetamide
• InChIKey: PAVMRYVMZLANOQ-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO/c1-8(11-9(2)12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,11,12)
• Isomères SMILES: CC(C1=CC=CC=C1)NC(=O)C
• Poids moléculaire: 163.22
• Reaxy-Rn: 2207593
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207593&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Acetamide - Secondary 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 163.220 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.1 Da
• Monoisotopic Mass: 163.1 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1