4-(Ethylamino)phenol - ≥97% , CAS No.659-34-7

CAS: 659-34-7 Cat. No.: E589810 Formule: C₈H₁₁NO Poids moléculaire: 137.18

GRADE & PURITY ≥97%

Synonyms

p-ethylaminophenol | F88126 | Phenol, 4-(ethylamino)- | SB75468 | DTXSID00984371 | MFCD09744904 | Ba 2831 | (4-hydroxy-phenyl)-ethylamine | Oxyphenyl-Athylamin | 4-(ethylamino)phenol | SCHEMBL440145 | STL484206 | 4-Ethylaminophenol | EN300-75350

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

p-ethylaminophenol | F88126 | Phenol, 4-(ethylamino)- | SB75468 | DTXSID00984371 | MFCD09744904 | Ba 2831 | (4-hydroxy-phenyl)-ethylamine | Oxyphenyl-Athylamin | 4-(ethylamino)phenol | SCHEMBL440145 | STL484206 | 4-Ethylaminophenol | EN300-75350

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

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

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CCNC1=CC=C(C=C1)O
• IUPAC Name: 4-(ethylamino)phenol
• InChIKey: UJWHLERCFNIFNJ-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-2-9-7-3-5-8(10)6-4-7/h3-6,9-10H,2H2,1H3
• Isomères SMILES: CCNC1=CC=C(C=C1)O
• Poids moléculaire: 137.18
• Reaxy-Rn: 2689688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: p-Aminophenols Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-aminophenol - Phenylalkylamine - Aniline or substituted anilines - Aminophenol - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Phenol - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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

• Poids moléculaire: 137.180 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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