N,N-Diethyl-p-phenylenediamine oxalate - ≥96% , CAS No.62637-92-7

CAS: 62637-92-7 Cat. No.: N196332 Molecular Weight: 254.28 EC Number: 263-662-1 PubChem CID: 112893

GRADE & PURITY ≥96%

Synonyms

1,4-Benzenediamine, N,N-diethyl-, ethanedioate (2:1) | LNP4KF39DP | N1,N1-diethylbenzene-1,4-diamine hemioxalate | N,N-Diethyl-p-phenylenediamine hemioxalate salt, p.a., 90% | N,N-Diethyl-p-phenylenediamine, oxalic acid salt (1:1) | N1,N1-Diethylbenzene-1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1, 4-Benzenediamine, N, N-diethyl-, ethanedioate (2:1) | LNP4KF39DP | N1, N1-diethylbenzene-1, 4-diamine hemioxalate | N, N-Diethyl-p-phenylenediamine hemioxalate salt, p.a., 90% | N, N-Diethyl-p-phenylenediamine, oxalic acid salt (1:1) | N1, N1-Diethylbenzene-1

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488187488
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187488
• Canonical Smiles: CCN(CC)C1=CC=C(C=C1)N.CCN(CC)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O
• IUPAC Name: 4-N,4-N-diethylbenzene-1,4-diamine;oxalic acid
• InChIKey: JJEXNPALAITIMN-UHFFFAOYSA-N
• INCHI: 1S/2C10H16N2.C2H2O4/c2*1-3-12(4-2)10-7-5-9(11)6-8-10;3-1(4)2(5)6/h2*5-8H,3-4,11H2,1-2H3;(H,3,4)(H,5,6)
• Isomeric SMILES: CCN(CC)C1=CC=C(C=C1)N.CCN(CC)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O
• PubChem CID: 112893
• Molecular Weight: 254.28

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 Dicarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Carbonyl group - 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

• Melt Point(°C): 145-150°C(lit.)
• Molecular Weight: 418.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 418.258 Da
• Monoisotopic Mass: 418.258 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 185.000
• 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: 3

XLogP3

References

1. Yu Luo, Chenchen Liu, Jiahui Liu, Xueming Liu, Yang Zhou, Xinwen Ou, Bo Weng, Jin Jiang, Bin Han.  (2024)  Anthraquinone centers modified covalent organic frameworks for boosted photocatalytic O2-to-H2O2 synthesis: Inhibiting the in-situ decomposition of H2O2.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148494]

2. Jie Li, Haoran Song, Tao Luo, Yan Cao, Linfeng Zhang, Qun Zhao, Zhanchao Li, Xuewei Hu, Junjie Gu, Senlin Tian.  (2024)  Exposure to O3 and NO2 on the interfacial chemistry of the pulmonary surfactant and the mechanism of lung oxidative damage.  CHEMOSPHERE,      [PMID:38906186] [10.1016/j.chemosphere.2024.142669]