2,4-Diamino-6-phenyl-1,3,5-triazine - ≥98%(HPLC) , CAS No.91-76-9

CAS: 91-76-9 Cat. No.: D139438 Molecular Weight: 187.2 Beilstein Registry Number: 153223 EC Number: 202-095-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

4,6-Diamino-2-phenyl-s-triazine | 6-Phenyl-1,3,5-triazine-2,4-diamine | Benzoguanamine | 6-Phenyl-1,3,5-triazine-2,4-diyldiamine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 6-Diamino-2-phenyl-s-triazine | 6-Phenyl-1, 3, 5-triazine-2, 4-diamine | Benzoguanamine | 6-Phenyl-1, 3, 5-triazine-2, 4-diyldiamine

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488180269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180269
• Canonical Smiles: C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
• IUPAC Name: 6-phenyl-1,3,5-triazine-2,4-diamine
• InChIKey: GZVHEAJQGPRDLQ-UHFFFAOYSA-N
• INCHI: 1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N
• WGK Germany: 2
• RTECS: XY7000000
• Molecular Weight: 187.2
• Beilstein: 153223
• Reaxy-Rn: 153223
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: Benzene and substituted derivatives 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - 1,3,5-triazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• 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(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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

ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

Discover Target: ADORA2B

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

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POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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Rattus norvegicus (775804 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Degree of Solubility in water: 0.6 g/l 22 °C; Soluble in Tetrahydrofuran; Slightly soluble in Ether,Alcohol
• Melt Point(°C): 225-228°C
• Molecular Weight: 187.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 187.086 Da
• Monoisotopic Mass: 187.086 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 170.000
• 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. Yin Xuefeng, Zhang Yaqian, Xu Yongjian.  (2023)  Luminescent transparent wood from balsa wood loaded by graphite carbon nitride for application in photoelectric device.  WOOD SCIENCE AND TECHNOLOGY,  57  (2): (467-481).  [PMID:] [10.1007/s00226-023-01459-5]

2. Chentao Liu, Huajun Duan, Huijuan Zhao, Yuan Gao, Juan Zhang, Jin Kang, Huiru Ma.  (2023)  Facile synthesis of a P/N-containing heterocyclic compound for simultaneous enhancement of heat resistance, mechanical properties and fire safety of epoxy resin.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2023.105530]

3. Rui Xu, Mingyu Zhang, Yuyan Zhang, Hongge Jia.  (2022)  Synthesis of rhodium catalysts with amino acid or triazine as a ligand, as well as its polymerization property of phenylacetylene.  HETEROCYCLIC COMMUNICATIONS,  28  (1): (149-156).  [PMID:] [10.1515/hc-2022-0014]

4. Mei He, Shu Huawei, Lv Mengyu, Liu Wei, Wang Xuedong.  (2020)  Fluorescent assay based on phenyl-modified g-C3N4 nanosheets for determination of thiram.  MICROCHIMICA ACTA,  187  (3): (1-8).  [PMID:32036451] [10.1007/s00604-020-4135-9]

5. Chengdong Xiong, Xianglong Li, Teng Hou, Bin Yang.  (2017)  Stability and spinnability of modified melamine–formaldehyde resin solution for centrifugal spinning.  JOURNAL OF APPLIED POLYMER SCIENCE,  135  (14): (46072).  [PMID:] [10.1002/app.46072]

6. Yijun Luo, Zhendong Liu, Jincheng Liu, Wei Cai, Zewei Liao, Xuyang Feng, Jia Zheng, Chengzhi Zhang, Yanxiong Fang.  (2024)  Adjustable n→π* electronic transition by sulfonated benzene functionalized g-C3N4 for enhanced photocatalytic H2 generation.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2024.03.262]

7. Jiayi Yang, Shuangchen Lu, Runnan Ye, Cun You, Meiyi Wang, Ming Cong, Pinwen Zhu, Guanjun Xiao, Shunxin Li, Xin He, Jiajia Ning, Yongming Sui, Bo Zou.  (2026)  Pressure-Induced Emission Modulation and Retention for Lighting and Anti-Counterfeiting Applications.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202503856]