2-(2-Aminophenyl)ethanol - ≥95%(GC) , CAS No.5339-85-5

CAS: 5339-85-5 Cat. No.: A151124 Formule: C₈H₁₁NO Poids moléculaire: 137.18 Beilstein Registry Number: 13(3)1679 Numéro CE: 226-275-9

GRADE & PURITY ≥95%(GC)

Synonyms

2-Aminophenethyl alcohol, 97% | NSC3572 | NSC-3572 | SCHEMBL249418 | W-105739 | 2-aminophenethylalcohol | 2-amino-phenethylalcohol | 2-Anilin-athanol | DTXSID8034372 | 2-(2-Aminophenyl)ethyl Alcohol | 2-aminophenylethanol | AC-067 | AMY301 | EINECS 226-27

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

2-Aminophenethyl alcohol undergoes one-pot cyclization with carboxylic acids in the presence of PPh3, CCl4 and NEt3 to yield N-acyl indolines.
2-Aminophenethyl alcohol was used in the synthesis of: 1. indole derivatives. 2. N-(cyanothioformyl)indoline. 3. dihydro-3,1-benzoxazepine.

Specifications

Synonymes

2-Aminophenethyl alcohol, 97% | NSC3572 | NSC-3572 | SCHEMBL249418 | W-105739 | 2-aminophenethylalcohol | 2-amino-phenethylalcohol | 2-Anilin-athanol | DTXSID8034372 | 2-(2-Aminophenyl)ethyl Alcohol | 2-aminophenylethanol | AC-067 | AMY301 | EINECS 226-27

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

• Pubchem Sid: 488185707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185707
• Sourires canoniques: C1=CC=C(C(=C1)CCO)N
• IUPAC Name: 2-(2-aminophenyl)ethanol
• InChIKey: ILDXSRFKXABMHH-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
• Isomères SMILES: C1=CC=C(C(=C1)CCO)N
• WGK Allemagne: 3
• Poids moléculaire: 137.18
• Beilstein: 13(3)1679
• Reaxy-Rn: 2356512
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2356512&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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 (humaines)

HEK293 (82097 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Indice de réfraction: 1.588
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 147-148 °C/3.5 mmHg(lit.)
• Poids moléculaire: 137.180 g/mol
• XLogP3: 0.500
• 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: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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