Ammeline - ≥95%(N) , CAS No.645-92-1

CAS: 645-92-1 Cat. No.: A151174 Fórmula: C₃H₅N₅O Peso molecular: 127.11 Beilstein Registry Number: 26(2)132 Número EC: 211-455-1

CALIDAD & PUREZA ≥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

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥95%(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(N)

Nombres e identificadores

Pubchem Sid

488202853

Pubchem Sid Url

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

Sonrisas canónicas

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)

Isómeros SMILES

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

Peso molecular

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
    • Clase Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water
• Peso molecular: 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

Preguntas frecuentes

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.