4,4''-Diamino-p-terphenyl - ≥95% , CAS No.3365-85-3

CAS: 3365-85-3 Cat. No.: D121465 Molecular Weight: 260.34 Beilstein Registry Number: 2120295 EC Number: 677-188-1

GRADE & PURITY ≥95%

Synonyms

QBSMHWVGUPQNJJ-UHFFFAOYSA-N | [1,1':4',1''-Terphenyl]-4,4''-diamine | BB 0221227 | Ro-4-6467/1 | SCHEMBL258287 | 4,4-Diamino-4-terphenyl | 4,4''-Diamino-p-terphenyl | NCGC00024027-07 | SCHEMBL2577 | 4-[4-(4-aminophenyl)phenyl]aniline | [1,1';4',1'']Terphe

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

QBSMHWVGUPQNJJ-UHFFFAOYSA-N | [1, 1':4', 1''-Terphenyl]-4, 4''-diamine | BB 0221227 | Ro-4-6467/1 | SCHEMBL258287 | 4, 4-Diamino-4-terphenyl | 4, 4''-Diamino-p-terphenyl | NCGC00024027-07 | SCHEMBL2577 | 4-[4-(4-aminophenyl)phenyl]aniline | [1, 1';4', 1'']Terphe

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756591
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756591
• Canonical Smiles: C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
• IUPAC Name: 4-[4-(4-aminophenyl)phenyl]aniline
• InChIKey: QBSMHWVGUPQNJJ-UHFFFAOYSA-N
• INCHI: 1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
• Molecular Weight: 260.34
• Beilstein: 2120295
• Reaxy-Rn: 2120295
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2120295&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: P-terphenyls
• Alternative Parents: Biphenyls and derivatives Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-terphenyl - Biphenyl - Aniline or substituted anilines - 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 p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
• 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 Acetone,Tetrahydrofuran
• Sensitivity: Air Sensitive
• Melt Point(°C): 242°C
• Molecular Weight: 260.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.131 Da
• Monoisotopic Mass: 260.131 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 250.000
• 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. Chunxia Pang, Huanhuan You, Sijie Lei, Fan Su, Lili Liang, Zhanguo Li, Xiaoyan Lin, Yaping Zhang, Hao Zhang, Xunhai Pan, Yang Hu.  (2024)  Chemically tailored molecular surface modification of bamboo pulp fibers for manipulating the electret performance of electret filter media.  CARBOHYDRATE POLYMERS,      [PMID:38368109] [10.1016/j.carbpol.2024.121830]

2. Shi Jianhua, Huang Jin, Qing Jiang, Chen Youwei, Meng Taoyu, Zhou Wenli, Xu Zhou, Chen Maolong, Wen Li, Jiao Ye, Cheng Yunhui, Wang Libing, Ding Li.  (2025)  Functionalized magnetic covalent organic frameworks with refining tunable cores for highly selective adsorption of immunosuppressive drugs.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:40272509] [10.1007/s00216-025-05877-1]