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

CAS: 5339-85-5 Cat. No.: A151124 Peso molecular: 137.18 Beilstein Registry Number: 13(3)1679 Número EC: 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

Argon charged,Room temperature

Shipped In

Normal

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488185707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185707
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C(C(=C1)CCO)N
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

HEK293 (82097 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: 1.588
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 147-148 °C/3.5 mmHg(lit.)
• Peso molecular: 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