Acetoguanamine - ≥98% , CAS No.542-02-9

CAS: 542-02-9 Cat. No.: A106445 Peso molecular: 125.13 Beilstein Registry Number: 118348 Número EC: 208-796-3

GRADE & PURITY ≥98%

Synonyms

D0583 | 2,4-Diamino-6-methyl-1,3,5-triazine | DTXCID909186 | NSC 257 | SCHEMBL36733 | NSC257 | NSC-257 | 6-Methyl-1,3,5-triazine-2,4-diamine # | DIAMINO-6-METHYL-1,3,5-TRIAZINE, 2,4- | NCGC00248942-01 | Acetoguanamine | Q4673271 | AX41T8ULB3 | 1,3,5-Triaz

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

D0583 | 2, 4-Diamino-6-methyl-1, 3, 5-triazine | DTXCID909186 | NSC 257 | SCHEMBL36733 | NSC257 | NSC-257 | 6-Methyl-1, 3, 5-triazine-2, 4-diamine # | DIAMINO-6-METHYL-1, 3, 5-TRIAZINE, 2, 4- | NCGC00248942-01 | Acetoguanamine | Q4673271 | AX41T8ULB3 | 1, 3, 5-Triaz

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181229
• Sonrisas canónicas: CC1=NC(=NC(=N1)N)N
• IUPAC Name: 6-methyl-1,3,5-triazine-2,4-diamine
• InChIKey: NJYZCEFQAIUHSD-UHFFFAOYSA-N
• INCHI: 1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
• Isómeros SMILES: CC1=NC(=NC(=N1)N)N
• WGK Alemania: 2
• Peso molecular: 125.13
• Beilstein: 118348
• Reaxy-Rn: 118348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118348&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: 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 - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: 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: diamino-1,3,5-triazine

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

Propiedades químicas y físicas

• Punto de fusión (°C): 274-276°C
• Peso molecular: 125.130 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 125.07 Da
• Monoisotopic Mass: 125.07 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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. Xing Liu, Jianjun Zhou, Minghong Wu, Shumei Liu, Jianqing Zhao.  (2023)  Design and synthesis of anhydride-terminated imide oligomer containing phosphorus and fluorine for high-performance flame-retarded epoxy resins.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.142063]

2. Ending Zhang, Xiaohong Liu, Yingchun Liu, Jun Shi, Xiaobin Li, Xiaoyan Xiong, Changan Xu, Kun Wu, Mangeng Lu.  (2021)  Highly stretchable, bionic self-healing waterborne polyurethane elastic film enabled by multiple hydrogen bonds for flexible strain sensors.  Journal of Materials Chemistry A,  9  (40): (23055-23071).  [PMID:] [10.1039/D1TA05148B]

3. Nan Gao, Pengcheng Huang, Fangying Wu.  (2017)  Colorimetric detection of melamine in milk based on Triton X-100 modified gold nanoparticles and its paper-based application.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:29136582] [10.1016/j.saa.2017.11.022]

4. Hanwen Deng, Yue Wang, Xiaoyu Chen, Meiling Zhou, Yike Huang, Min Wang, Zhining Xia.  (2025)  Construction of three-face recognition molecularly imprinted polymers for extraction and detection of melamine via specific hydrogen bonding.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40086143] [10.1016/j.chroma.2025.465850]

5. Dongxue Fu, Guifang Wang, Li Zhao, Yuwen Hong, Baoming Yang, Huiling Cheng.  (2024)  Design of ion-imprinted amino-modified chitosan for selective chromium (Ⅲ) ion removal.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126341]

6. Yuxin Shi, Qiong Zhu, Lanlan Fu, Jixing Wang, Xinyan Lu, Ying Tao, Chi Zhang, Yongjie Wang, Kangning Xu, Huan Shang, Dieqing Zhang, Guisheng Li.  (2024)  Low-Coordinated Nitrogen Vacancies for Robust Visible-Light-Driven H2O2 Production.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.4c00824]

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