Myristanilide - ≥99%(T) , CAS No.622-56-0

CAS: 622-56-0 Cat. No.: M158340 Formule: C₂₀H₃₃NO Poids moléculaire: 303.49

QUALITÉ & PURETÉ ≥99%(T)

Synonyms

ETHYL3-[(4-CHLOROPHENYL)THIO]PROPANOATE | tetradecanoic acid phenylamide | Myristanilide | Tetradecanamide, N-phenyl- | N-Phenylmyristamide | SCHEMBL541399 | DTXSID2060753 | Myristic acid anilide | A868518 | AS-57973 | FT-0629051 | AKOS005284058 | D97706

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

ETHYL3-[(4-CHLOROPHENYL)THIO]PROPANOATE | tetradecanoic acid phenylamide | Myristanilide | Tetradecanamide, N-phenyl- | N-Phenylmyristamide | SCHEMBL541399 | DTXSID2060753 | Myristic acid anilide | A868518 | AS-57973 | FT-0629051 | AKOS005284058 | D97706

Spécifications et pureté

≥99%(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%(T)

Noms et identifiants

Sourires canoniques

CCCCCCCCCCCCCC(=O)NC1=CC=CC=C1

IUPAC Name

N-phenyltetradecanamide

InChIKey

LYSJUAWWUBVYCB-UHFFFAOYSA-N

INCHI

1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(22)21-19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3,(H,21,22)

Isomères SMILES

CCCCCCCCCCCCCC(=O)NC1=CC=CC=C1

Poids moléculaire

303.49

Reaxy-Rn

2735077

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2735077&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Fatty amides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Fatty amide - Fatty acyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Cibles associées (non humaines)

Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): 113°C/10mmHg(lit.)
• Point de fusion (°C): 84 °C
• Poids moléculaire: 303.500 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 303.256 Da
• Monoisotopic Mass: 303.256 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 258.000
• 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