4-Nitro-Phenethylamine - ≥98% , CAS No.24954-67-4

CAS: 24954-67-4 Cat. No.: N192298 Peso molecular: 166.18

GRADE & PURITY ≥98%

Synonyms

SCHEMBL335044 | J-515879 | NoName_3084 | NSC299559 | NSC-299559 | AKOS000299194 | Benzeneethanamine, 4-nitro- | Oprea1_732028 | 2-(4-nitrophenyl)ethanamine | DS-16947 | SY056845 | 325O8467XK | EINECS 249-980-3 | p-NITROPHENETHYLAMINE | RPR-251526 | FT-070

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL335044 | J-515879 | NoName_3084 | NSC299559 | NSC-299559 | AKOS000299194 | Benzeneethanamine, 4-nitro- | Oprea1_732028 | 2-(4-nitrophenyl)ethanamine | DS-16947 | SY056845 | 325O8467XK | EINECS 249-980-3 | p-NITROPHENETHYLAMINE | RPR-251526 | FT-070

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488186888
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186888
• Sonrisas canónicas: C1=CC(=CC=C1CCN)[N+](=O)[O-]
• IUPAC Name: 2-(4-nitrophenyl)ethanamine
• InChIKey: IOXOZOPLBFXYLM-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6,9H2
• Isómeros SMILES: C1=CC(=CC=C1CCN)[N+](=O)[O-]
• Peso molecular: 166.18
• Reaxy-Rn: 2208358
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208358&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 Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• 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 - Organopnictogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 166.180 g/mol
• XLogP3: 1.200
• 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: 148.000
• 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

Referencias

1. Guozeng Wang, Zhihao Jiang, Qing Xiao, Chang Jiang, Xian'ai Shi.  (2022)  Visible spectrophotometric assay for characterization of ω-transaminases.  ANALYTICAL BIOCHEMISTRY,      [PMID:36208685] [10.1016/j.ab.2022.114933]

2. Kun Ge, Lunzhao Yi, Qiyue Wu, Yonghui Li, Hanqiang Zhang, Ying Gu.  (2021)  Detection of Formaldehyde by Surface-Enhanced Raman Spectroscopy Based on PbBiO2Br/Au4Ag4 Nanospheres.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.1c01710]

3. Caiqing Ma, Yu Liu, Jing Wang, Shiwei Wu, Qian Zhang, Peng Song, Lixin Xia.  (2018)  Regulate the coupling reaction of 4-nitrothiophenol to 4,4′-dimercaptoazobenzene by organic alkali.  JOURNAL OF RAMAN SPECTROSCOPY,  49  (8): (1395-1401).  [PMID:] [10.1002/jrs.5381]