2,4-Diaminodiphenylamine - ≥98%(T) , CAS No.136-17-4

CAS: 136-17-4 Cat. No.: D154777 Molecular Weight: 199.26 EC Number: 680-434-0

GRADE & PURITY ≥98%(T)

Synonyms

D0087 | NSC401132 | NSC-401132 | AKOS003248915 | 1-N-phenylbenzene-1,2,4-triamine | AI3-08901 | VOSLIUIVGWBSOK-UHFFFAOYSA-N | A807039 | D89591 | N-phenyl-1,2,4-benzenetriamine | 45DN363J8C | BRN 1964383 | N(sup 1)-Phenyl-1,2,4-benzenetriamine | 2,4-Diamin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

D0087 | NSC401132 | NSC-401132 | AKOS003248915 | 1-N-phenylbenzene-1, 2, 4-triamine | AI3-08901 | VOSLIUIVGWBSOK-UHFFFAOYSA-N | A807039 | D89591 | N-phenyl-1, 2, 4-benzenetriamine | 45DN363J8C | BRN 1964383 | N(sup 1)-Phenyl-1, 2, 4-benzenetriamine | 2, 4-Diamin

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488180858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180858
• Canonical Smiles: C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N
• IUPAC Name: 1-N-phenylbenzene-1,2,4-triamine
• InChIKey: VOSLIUIVGWBSOK-UHFFFAOYSA-N
• INCHI: 1S/C12H13N3/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,15H,13-14H2
• Isomeric SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N
• RTECS: DC1954000
• Molecular Weight: 199.26
• Reaxy-Rn: 1964383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1964383&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Secondary amines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Associated Targets(non-human)

Toxoplasma gondii (4585 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 129-131°C
• Molecular Weight: 199.250 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.111 Da
• Monoisotopic Mass: 199.111 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• 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. Jianbo Cao, Rui Chen, Linfan Wang, Haoming Xing, Houwen Hu, Xiangdong Yang, Chenjie Gu, Siyuan Tang, Da Chen.  (2024)  Meticulously designed red emission carbon dots as efficient and stable luminescent species for rapid latent fingerprint recognition and light emitting diodes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152121]