Ammeline - ≥95%(N) , CAS No.645-92-1

CAS: 645-92-1 Cat. No.: A151174 Formule: C₃H₅N₅O Poids moléculaire: 127.11 Beilstein Registry Number: 26(2)132 Numéro CE: 211-455-1

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥95%(N)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%(N)

Noms et identifiants

Pubchem Sid

488202853

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
    • Classe Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Poids moléculaire: 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

Foire aux questions

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.