N,N-Dimethyl-1,4-phenylenediamine oxalate - AR, ≥98% , CAS No.62778-12-5

CAS: 62778-12-5 Cat. No.: D100438 Molecular Weight: 181.21 EC Number: 263-723-2 PubChem CID: 112942

GRADE & PURITY AR, ≥98%

Synonyms

1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (2:1) | 1,4-Benzenediamine, N,N-dimethyl-, ethanedioate (2:1) | Q-201435 | DTXSID9069637 | N1,N1-Dimethylbenzene-1,4-diamine oxalate(2:1) | 4-Aminodimethylaniline Oxalate | AKOS030631829 | N1,N1-Dimethylbe

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

1, 4-Benzenediamine, N1, N1-dimethyl-, ethanedioate (2:1) | 1, 4-Benzenediamine, N, N-dimethyl-, ethanedioate (2:1) | Q-201435 | DTXSID9069637 | N1, N1-Dimethylbenzene-1, 4-diamine oxalate(2:1) | 4-Aminodimethylaniline Oxalate | AKOS030631829 | N1, N1-Dimethylbe

Specifications & Purity

AR, ≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Grade

AR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187490
• Canonical Smiles: CN(C)C1=CC=C(C=C1)N.CN(C)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O
• IUPAC Name: 4-N,4-N-dimethylbenzene-1,4-diamine;oxalic acid
• InChIKey: MNUINXKPLPIOEF-UHFFFAOYSA-N
• INCHI: 1S/2C8H12N2.C2H2O4/c2*1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h2*3-6H,9H2,1-2H3;(H,3,4)(H,5,6)
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N.CN(C)C1=CC=C(C=C1)N.C(=O)(C(=O)O)O
• WGK Germany: 3
• RTECS: CZ1586550
• PubChem CID: 112942
• UN Number: 2811
• Molecular Weight: 181.21

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

• Sensitivity: Air sensitive;Light sensitive
• Melt Point(°C): 205°C
• Molecular Weight: 362.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 362.195 Da
• Monoisotopic Mass: 362.195 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 165.000
• 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

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