3-Nitrophenethylamine Hydrochloride - ≥98% , CAS No.19008-62-9

CAS: 19008-62-9 Cat. No.: N305281 Peso molecular: 202.64 Número EC: 625-145-2

GRADE & PURITY ≥98%

Synonyms

19008-62-9|2-(3-nitrophenyl)ethanamine hydrochloride|3-Nitrophenethylamine hydrochloride|2-(3-nitrophenyl)ethanamine;hydrochloride|3-Nitro-phenethylamine hydrochloride|2-(3-nitrophenyl)ethan-1-amine hydrochloride|3-Nitro-phenethylamine HCl|Benzeneethanami

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

19008-62-9 | 2-(3-nitrophenyl)ethanamine hydrochloride | 3-Nitrophenethylamine hydrochloride | 2-(3-nitrophenyl)ethanamine;hydrochloride | 3-Nitro-phenethylamine hydrochloride | 2-(3-nitrophenyl)ethan-1-amine hydrochloride | 3-Nitro-phenethylamine HCl | Benzeneethanami

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200998
• Sonrisas canónicas: C1=CC(=CC(=C1)[N+](=O)[O-])CCN.Cl
• IUPAC Name: 2-(3-nitrophenyl)ethanamine;hydrochloride
• InChIKey: IZWJXFFJQRETII-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2.ClH/c9-5-4-7-2-1-3-8(6-7)10(11)12;/h1-3,6H,4-5,9H2;1H
• Isómeros SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCN.Cl
• Peso molecular: 202.64
• Reaxy-Rn: 3706046
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3706046&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenethylamines Nitroaromatic compounds 2-arylethylamines Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Phenethylamine - Nitroaromatic compound - 2-arylethylamine - Aralkylamine - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary aliphatic amine - Primary amine - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Hydrochloride - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 211-215 °C
• Peso molecular: 202.640 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.051 Da
• Monoisotopic Mass: 202.051 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 156.000
• 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: 2

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