2-(4-Aminophenyl)ethanol - ≥98%(GC) , CAS No.104-10-9

CAS: 104-10-9 Cat. No.: A151120 Formula: C₈H₁₁NO Molecular Weight: 137.18 Beilstein Registry Number: 907205 EC Number: 203-174-8

GRADE & PURITY ≥98%(GC)

Synonyms

4-Aminophenethyl alcohol | 2-(4-Aminophenyl)ethyl Alcohol | p-Aminophenethyl alcohol

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

4-Aminophenethyl alcohol has been used: . as nonsymmetric monomer in the preparation of ordered [head-to-head (H-H) or tail-to-tail (T-T)] poly(amide-ester) . in the synthesis of 4-aminostyrene . in functionalization of graphene nanoplatelets

Specifications

Synonyms

4-Aminophenethyl alcohol | 2-(4-Aminophenyl)ethyl Alcohol | p-Aminophenethyl alcohol

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488183872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183872

Canonical Smiles

C1=CC(=CC=C1CCO)N

IUPAC Name

2-(4-aminophenyl)ethanol

InChIKey

QXHDYMUPPXAMPQ-UHFFFAOYSA-N

INCHI

1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2

Isomeric SMILES

C1=CC(=CC=C1CCO)N

WGK Germany

3

Molecular Weight

137.18

Beilstein

907205

Reaxy-Rn

907205

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907205&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

Chemical and Physical Properties

• Solubility: Soluble in methanol
• Sensitivity: air sensitive
• Boil Point(°C): 255°C
• Melt Point(°C): 107-110°C
• Molecular Weight: 137.180 g/mol
• XLogP3: 0.100
• 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: 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