4'-Aminohexanophenone - ≥98% , CAS No.38237-76-2

CAS: 38237-76-2 Cat. No.: A151366 Formule: C₁₂H₁₇NO Poids moléculaire: 191.27 Beilstein Registry Number: 14(4)184 Numéro CE: 677-116-9

GRADE & PURITY ≥98%

Synonyms

D88501 | 4-14-00-00184 (Beilstein Handbook Reference) | 4-Hexanoylaniline | BRN 2718524 | MFCD01723226 | 1-(4-aminophenyl)hexan-1-one | Para-aminohexanoylphenone | DTXSID40191628 | Caprophenone, p-amino- | p-Amino caprophenone | 4-Aminohexanoylphenone | 4

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

D88501 | 4-14-00-00184 (Beilstein Handbook Reference) | 4-Hexanoylaniline | BRN 2718524 | MFCD01723226 | 1-(4-aminophenyl)hexan-1-one | Para-aminohexanoylphenone | DTXSID40191628 | Caprophenone, p-amino- | p-Amino caprophenone | 4-Aminohexanoylphenone | 4

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCCCCC(=O)C1=CC=C(C=C1)N
• IUPAC Name: 1-(4-aminophenyl)hexan-1-one
• InChIKey: YDQJFPLRVSPPGE-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5,13H2,1H3
• Isomères SMILES: CCCCCC(=O)C1=CC=C(C=C1)N
• RTECS: MP4450000
• Poids moléculaire: 191.27
• Beilstein: 14(4)184
• Reaxy-Rn: 2718524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2718524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Aniline or substituted anilines - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 85 °C
• Poids moléculaire: 191.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 191.131 Da
• Monoisotopic Mass: 191.131 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 171.000
• 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