Ammeline - ≥95%(N) , CAS No.645-92-1

CAS: 645-92-1 Cat. No.: A151174 分子式: C₃H₅N₅O 分子量: 127.11 Beilstein Registry Number: 26(2)132 EC番号: 211-455-1

グレード＆純度 ≥95%(N)

Synonyms

Atrazine-desethyl-desisopropyl-2-hydroxy, PESTANAL(R), analytical standard | NSC 9778 | methyl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | 1,5-Triazin-2(1H)-one, 4,6-diamino- | AI3-50983 | C08733 | Q27294232 | Ammelin (VAN) | CHEBI:28646 | AMMELINE, | Cyan

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Atrazine-desethyl-desisopropyl-2-hydroxy, PESTANAL(R), analytical standard | NSC 9778 | methyl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | 1,5-Triazin-2(1H)-one, 4,6-diamino- | AI3-50983 | C08733 | Q27294232 | Ammelin (VAN) | CHEBI:28646 | AMMELINE, | Cyan

仕様と純度

≥95%(N)

保管条件

Room temperature

入荷

Normal

純度

≥95%(N)

名前と識別子

パブケム・シド

488202853

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488202853

カノニカル・スマイル

C1(=NC(=NC(=O)N1)N)N

IUPAC Name

4,6-diamino-1H-1,3,5-triazin-2-one

InChIKey

MASBWURJQFFLOO-UHFFFAOYSA-N

INCHI

1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)

異性体SMILES

C1(=NC(=NC(=O)N1)N)N

分子量

127.11

Beilstein

26(2)132

Reaxy-Rn

5570

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5570&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Triazines
• Subclass: Triazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinones
• Alternative Parents: Aminotriazines 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Amino-1,3,5-triazine - Aminotriazine - Triazinone - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
• External Descriptors: an aromatic compound

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

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 分子量: 127.110 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.049 Da
• Monoisotopic Mass: 127.049 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 204.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 645-92-1, the molecular formula is C3H5N5O, and the molecular weight is 127.11 g/mol. InChIKey MASBWURJQFFLOO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.