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

CAS: 542-02-9 Cat. No.: A106445 Molecular Weight: 125.13 Beilstein Registry Number: 118348 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181229
• Canonical Smiles: 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)
• Isomeric SMILES: CC1=NC(=NC(=N1)N)N
• WGK Germany: 2
• Molecular Weight: 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
    • 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: 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
• 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: 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

Chemical and Physical Properties

• Melt Point(°C): 274-276°C
• Molecular Weight: 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

References

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]

7. Kaixin Xu, Junli Xu, Panpan Hao, Ruiqi Zhang, Xiujie Cheng, Qing Zhou, Dongxia Yan, Yi Li, Jiayu Xin, Xingmei Lu.  (2024)  One-pot Preparation of Flame-retardant Waterborne Polyurethane by Glycolysis of PET with Ionic Liquids.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2024.111146]

8. Wei Zhang, Mengqing Ren, Ming Chen, Lili Wu.  (2025)  Tough and self-healing waterborne polyurethane elastomers via hydrogen bonds and oxime–carbamate design for wearable flexible strain sensors.  RSC Advances,  15  (8): (6231-6240).  [PMID:40008024] [10.1039/D4RA09084E]