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

CAS: 24954-67-4 Cat. No.: N192298 Molecular Weight: 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

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

Specifications & Purity

≥98%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186888
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186888
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1CCN)[N+](=O)[O-]
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 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

References

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]