N,N-Diethyl-4-nitrosoaniline - ≥98%(HPLC) , CAS No.120-22-9

CAS: 120-22-9 Cat. No.: N159064 Molecular Weight: 178.24 Beilstein Registry Number: 12684 EC Number: 204-379-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

NSC 5418 | EINECS 204-379-5 | AKOS002318224 | 4-Nitroso-N,N-diethylaniline | CCRIS 3087 | 4-12-00-01559 (Beilstein Handbook Reference) | D91662 | Benzenamine, N,N-diethyl-4-nitroso- | SCHEMBL146443 | 5QX2AS44RV | AI3-15392 | NSC5418 | NSC-5418 | Diethyl-p

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

NSC 5418 | EINECS 204-379-5 | AKOS002318224 | 4-Nitroso-N, N-diethylaniline | CCRIS 3087 | 4-12-00-01559 (Beilstein Handbook Reference) | D91662 | Benzenamine, N, N-diethyl-4-nitroso- | SCHEMBL146443 | 5QX2AS44RV | AI3-15392 | NSC5418 | NSC-5418 | Diethyl-p

Specifications & Purity

≥98%(HPLC)

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504754119
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754119
• Canonical Smiles: CCN(CC)C1=CC=C(C=C1)N=O
• IUPAC Name: N,N-diethyl-4-nitrosoaniline
• InChIKey: OLNMJIHADFYHAK-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3
• Isomeric SMILES: CCN(CC)C1=CC=C(C=C1)N=O
• RTECS: BX3610000
• Alternate CAS: 120-22-9
• NSC Number: 5418
• UN Number: 2926
• Packing Group: II
• MeSH Entry Terms: 4-nitroso-N,N-diethylaniline;p-nitroso-N,N-diethylaniline;para-nitroso-N,N-diethylaniline
• Molecular Weight: 178.24
• Beilstein: 12684
• Reaxy-Rn: 2804428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Organic nitroso compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Chemical and Physical Properties

• Solubility: Soluble in ethanol, ether, slightly soluble in water
• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Melt Point(°C): 80.0 - 85.0 °C
• Molecular Weight: 178.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.111 Da
• Monoisotopic Mass: 178.111 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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. Qiongxue Huang, Xueqiang Nie, Qingqin He, Tonghe Liu, Zhaocui Sun, Yong Hou, Haifeng Wu, Sichao Tian, Zhonghao Sun, Xudong Xu, Guoxu Ma.  (2025)  Synergistic combination: Developing a natural carrier-free assembled gel through hydrogen bond reconstruction strategy for efficient skin photo-damage restoration.  Biomaterials Advances,      [PMID:41129958] [10.1016/j.bioadv.2025.214557]

2. Tianyuan Xiao, Lu Wu, Lingzhi Huang, Xuanjia Yu, Wenchao Jia, Xueru Sheng, Fengshan Zhang, Yanzhu Guo, Pedram Fatehi, Haiqiang Shi.  (2026)  Ultrasmall, Low-Molecular-Weight Lignin Nanoparticles via Effective Suppression of Lignin Condensation by Strong Nucleophilic Interaction.  ACS Nano,      [PMID:41540549] [10.1021/acsnano.5c17745]

3. Weiqi Yu, Hao Qiu, Menghui Lin, Xiaolong Zhang, Shunwei Chen, Zifei Wang, Ming-Zhi Wei, Conghui Si, Xiujun Han, Xujun Zheng.  (2026)  Cu² ⁺-Activated NIR Photothermal Conversion Based on Imine Bond Photorotation for Dual-Mode Antibacterial Applications.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D6TC00078A]