2-(2-Aminoethyl)aniline dihydrochloride - ≥95% , CAS No.1159823-45-6

CAS: 1159823-45-6 Cat. No.: A189849 Molecular Weight: 209.12 PubChem CID: 46738113

GRADE & PURITY ≥95%

Synonyms

J-003353 | Benzeneethanamine, 2-amino-, hydrochloride (1:2) | 1159823-45-6 | GS-3783 | 2-(2-Aminoethyl)aniline--hydrogen chloride (1/2) | 2-(2-Aminoethyl)aniline dihydrochloride | 2-(2-Amino-ethyl)-aniline dihydrochloride | SB30925 | 2-(2-amino-ethyl)-phe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

J-003353 | Benzeneethanamine, 2-amino-, hydrochloride (1:2) | 1159823-45-6 | GS-3783 | 2-(2-Aminoethyl)aniline--hydrogen chloride (1/2) | 2-(2-Aminoethyl)aniline dihydrochloride | 2-(2-Amino-ethyl)-aniline dihydrochloride | SB30925 | 2-(2-amino-ethyl)-phe

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770745
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770745
• Canonical Smiles: C1=CC=C(C(=C1)CCN)N.Cl.Cl
• IUPAC Name: 2-(2-aminoethyl)aniline;dihydrochloride
• InChIKey: KRZZSHRMVZTDTQ-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2.2ClH/c9-6-5-7-3-1-2-4-8(7)10;;/h1-4H,5-6,9-10H2;2*1H
• Isomeric SMILES: C1=CC=C(C(=C1)CCN)N.Cl.Cl
• PubChem CID: 46738113
• Molecular Weight: 209.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Aniline and substituted anilines 2-arylethylamines Aralkylamines Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Aniline or substituted anilines - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 209.110 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.053 Da
• Monoisotopic Mass: 208.053 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 93.300
• 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: 3

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