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

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

Overview

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

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

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488185707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185707
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C(=C1)CCO)N
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

HEK293 (82097 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.588
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 147-148 °C/3.5 mmHg(lit.)
• Molecular Weight: 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