4,4′-Diaminobenzanilide(4,4-DABA) - ≥98% , CAS No.785-30-8

CAS: 785-30-8 Cat. No.: D102220 Peso molecular: 227.26 Número EC: 212-321-5

GRADE & PURITY ≥98%

Synonyms

Oprea1_697167 | Benzanilide,4'-diamino- | 4-Amino-N-(4-aminophenyl)benzamide # | 4,4'-Diaminobenzanilide | Tox21_200716 | DTXCID40400 | UNII-00X4JM89UH | 4-Aminobenzoyl-4'-aminoanilide | Z56785539 | F10214 | 00X4JM89UH | D2005 | Q27231382 | SCHEMBL137276

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Oprea1_697167 | Benzanilide, 4'-diamino- | 4-Amino-N-(4-aminophenyl)benzamide # | 4, 4'-Diaminobenzanilide | Tox21_200716 | DTXCID40400 | UNII-00X4JM89UH | 4-Aminobenzoyl-4'-aminoanilide | Z56785539 | F10214 | 00X4JM89UH | D2005 | Q27231382 | SCHEMBL137276

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184438
• Sonrisas canónicas: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N
• IUPAC Name: 4-amino-N-(4-aminophenyl)benzamide
• InChIKey: XPAQFJJCWGSXGJ-UHFFFAOYSA-N
• INCHI: 1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)
• Isómeros SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N
• WGK Alemania: 3
• Peso molecular: 227.26
• Reaxy-Rn: 2215469
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215469&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Aminobenzoic acids and derivatives Benzamides Benzoyl derivatives Aniline and substituted anilines Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Practically insoluble; Slightly soluble in Methanol
• Sensibilidad: air sensitive
• Punto de ebullición (°C): 384.0±27.0 °C at 760 mmHg
• Punto de fusión (°C): 205-207°C
• Peso molecular: 227.260 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.106 Da
• Monoisotopic Mass: 227.106 Da
• Topological Polar Surface Area: 81.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 253.000
• 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

Referencias

1. Yue Tian, Yinfu Luo, Haichao Meng, Long Ni, Cuiqing Zhou, Shengtai Zhou, Huawei Zou, Mei Liang.  (2023)  Fabrication of Lightweight Polyimide Foams with Exceptional Mechanical and Thermal Properties.  MACROMOLECULAR RAPID COMMUNICATIONS,      [PMID:37602657] [10.1002/marc.202300357]

2. Wenhui Wei, Yuanyuan Tao, Tianxue Feng, Yitian Wu, Linjie Li, Jie Pang, Dongwei Li, Guanchen Xu, Xiu Liang, Meng Gao, Xingshuang Zhang.  (2023)  Self-assembly-dominated hierarchical porous nanofibrous membranes for efficient high-temperature air filtration and unidirectional water penetration.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.121996]

3. Haichao Meng, Long Ni, Cuiqing Zhou, Chen Qiu, Yinfu Luo, Huawei Zou, Shengtai Zhou, Mei Liang.  (2023)  Scalable Fabrication of Lightweight, Heat-Resistant, and Controllable Sizes Polyimide Hollow Microspheres.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  224  (19): (2300144).  [PMID:] [10.1002/macp.202300144]

4. Long Ni, Yinfu Luo, Guanchun Wang, Liwei Yan, Yunfei Gao, Haichao Meng, Shaoyu Qiu, Mei Liang, Shengtai Zhou, Huawei Zou.  (2023)  Microwave-Assisted Foaming of Mechanically Robust Lightweight Polyimide Foams with Anisotropic Pore Structures for Thermal Insulation Applications.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c01852]

5. Shuaizhen Li, Zhibo Zheng, Siwei Liu, Zhenguo Chi, Yi Zhang, Jiarui Xu.  (2023)  Flexible graphite films with high cross-plane thermal conductivity prepared by graphitization of polyimide catalyzed by Ni-coated-CNTs.  Journal of Materials Chemistry C,  11  (28): (9527-9538).  [PMID:] [10.1039/D3TC01446K]

6. Congcong Yin, Zhe Zhang, Zhenshu Si, Xiansong Shi, Yong Wang.  (2022)  Smart Covalent Organic Frameworks with Intrapore Azobenzene Groups for Light-Gated Ion Transport.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.2c02239]

7. Shuaizhen Li, Zhibo Zheng, Siwei Liu, Zhenguo Chi, Xudong Chen, Yi Zhang, Jiarui Xu.  (2021)  Ultrahigh thermal and electric conductive graphite films prepared by g-C3N4 catalyzed graphitization of polyimide films.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.132530]