N,N'-1,3-Phenylenedimaleimide - ≥97%(HPLC) , CAS No.3006-93-7

CAS: 3006-93-7 Cat. No.: N159682 Peso molecular: 268.23 Número EC: 221-112-8

GRADE & PURITY ≥97%(HPLC)

Synonyms

MALEIMIDE, N,N'-(m-PHENYLENE)DI- | BMI-MP | m-Phenylenebismaleimide | NSC19639 | NSC-19639 | DTXSID3044415 | GEO-03119 | N,N'-1,3-Phenylene bismaleimide | N,N-1,3-Phenylene bismaleimide | WLN: T5VNVJ BR C- BT5VNVJ | BRN 0249503 | N,N'-1,3-Phenylenebismale

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MALEIMIDE, N, N'-(m-PHENYLENE)DI- | BMI-MP | m-Phenylenebismaleimide | NSC19639 | NSC-19639 | DTXSID3044415 | GEO-03119 | N, N'-1, 3-Phenylene bismaleimide | N, N-1, 3-Phenylene bismaleimide | WLN: T5VNVJ BR C- BT5VNVJ | BRN 0249503 | N, N'-1, 3-Phenylenebismale

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
• IUPAC Name: 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
• InChIKey: IPJGAEWUPXWFPL-UHFFFAOYSA-N
• INCHI: 1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H
• Isómeros SMILES: C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
• Peso molecular: 268.23
• Reaxy-Rn: 249503
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=249503&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolines
      • Subclass Phenylpyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolines
• Subclass: Phenylpyrrolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolines
• Alternative Parents: Maleimides N-substituted carboxylic acid imides Benzene and substituted derivatives Pyrroles Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrroline - Maleimide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Carboxylic acid derivative - Azacycle - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
• 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 (humanos)

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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

Objetivos asociados (no humanos)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Plasmodium berghei (192651 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, extremely slightly soluble in acetone.
• Punto de fusión (°C): 202 °C
• Peso molecular: 268.220 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.048 Da
• Monoisotopic Mass: 268.048 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 480.000
• 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. Tingting Lian, Shengchang Zhang, Qibin Xu, Kaixiang Wang, Bo Li, Xiangpu Qin, Mengjin Jiang, Pengqing Liu.  (2023)  Self-Healing and Flame-Retardant Modifications of Epoxy Resins by the Diels–Alder Release-Delivery Strategy for a High-Efficiency and Green Application.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c04255]

2. Yuezhen Hua, Wang Cui, Zekai Ji, Xin Wang, Zheng Wu, Yong Liu, Yuyao Li.  (2022)  Binary Polyamide-Imide Fibrous Superelastic Aerogels for Fire-Retardant and High-Temperature Air Filtration.  Polymers,  14  (22): (4933).  [PMID:36433061] [10.3390/polym14224933]

3. Haiyang Li, Xuanhe Ru, Ying Song, Huanping Wang, Chenhui Yang, Lei Gong, Zhenguo Liu, Qiuyu Zhang, Yanhui Chen.  (2022)  Flexible and self-healing 3D MXene/reduced graphene oxide/polyurethane composites for high-performance electromagnetic interference shielding.  COMPOSITES SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.compscitech.2022.109602]

4. Shanjun Ding, Jun Zhang, Lin Zhou, Yunjun Luo.  (2020)  Promoting healing progress in polymer composites based on Diels-Alder reaction by constructing silver bridges.  POLYMERS FOR ADVANCED TECHNOLOGIES,  32  (3): (1239-1250).  [PMID:] [10.1002/pat.5173]

5. Ting Wang, Wan-Cheng Yu, Chang-Ge Zhou, Wen-Jin Sun, Yun-Peng Zhang, Li-Chuan Jia, Jie-Feng Gao, Kun Dai, Ding-Xiang Yan, Zhong-Ming Li.  (2020)  Self-healing and flexible carbon nanotube/polyurethane composite for efficient electromagnetic interference shielding.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2020.108015]

6. Wu Xudong, Huang Jingyu, Yu Shuhui, Ruan Panpan, Sun Rong, Wong Ching-Ping.  (2019)  Thermally Self-Healable Titanium Dioxide/Polyurethane Nanocomposites with Recoverable Mechanical and Dielectric Properties.  MACROMOLECULAR RESEARCH,  28  (4): (373-381).  [PMID:] [10.1007/s13233-020-8049-5]

7. Jiajia Sheng, Hailu Yang, Xin Pang, Linbing Wang.  (2026)  Rapid-response self-healing cementitious materials incorporating composite microcapsules: A multiscale study of curing-healing mechanisms.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2026.145807]