3-Nitrophenethylamine - ≥97% , CAS No.83304-13-6

CAS: 83304-13-6 Cat. No.: N195219 Formule: C₈H₁₀N₂O₂ Poids moléculaire: 166.18

GRADE & PURITY ≥97%

Synonyms

3-Nitrophenylethylamine|83304-13-6|2-(3-nitrophenyl)ethanamine|3-nitrophenethylamine|3-Nitro-phenethylamine|2-(3-nitrophenyl)ethan-1-amine|Benzeneethanamine, 3-nitro-|2-(3-Nitrophenyl)ethylamine|m-Nitrophenylathylamin|3-nitrophenylethyl amine|SCHEMBL10486

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

3-Nitrophenylethylamine | 83304-13-6 | 2-(3-nitrophenyl)ethanamine | 3-nitrophenethylamine | 3-Nitro-phenethylamine | 2-(3-nitrophenyl)ethan-1-amine | Benzeneethanamine, 3-nitro- | 2-(3-Nitrophenyl)ethylamine | m-Nitrophenylathylamin | 3-nitrophenylethyl amine | SCHEMBL10486

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C1=CC(=CC(=C1)[N+](=O)[O-])CCN

IUPAC Name

2-(3-nitrophenyl)ethanamine

InChIKey

WEPKDBHGQDETGY-UHFFFAOYSA-N

INCHI

1S/C8H10N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5,9H2

Isomères SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CCN

Poids moléculaire

166.18

Reaxy-Rn

3242925

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3242925&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 salts Organic oxides Monoalkylamines 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 amine - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 166.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 12
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 83304-13-6, the molecular formula is C8H10N2O2, and the molecular weight is 166.18 g/mol. InChIKey WEPKDBHGQDETGY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.