Acetaldehyde ammonia trimer - ≥97% , CAS No.58052-80-5

CAS: 58052-80-5 Cat. No.: A106245 Fórmula: C₆H₁₅N₃·3H₂O Peso molecular: 183.25 Beilstein Registry Number: 3910586 Número EC: 676-562-1

GRADE & PURITY ≥97%

Synonyms

Hexahydro-2,4,6-trimethyl-1,3,5-triazine trihydrate | Acetaldehyde-ammonia trimer trihydrate | 2,4,6-trimethylhexa-hydro-1,3,5-triazin-trihydrat | FT-0621722 | 2,4,6-trimethyl-1,3,5-triazinane;trihydrate | Acetaldehyde ammonia trimer | 1,3,5-Triazine,hexa

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Acetaldehyde ammonia trimer is a reagent used in the synthesis of amines by hydrogenation and as a precursor to the production of ammonia. It can also be used as an organic building block in the synthesis of 1,2-dihydro-1,3-dimethyl-3H-naphth[1.2-e]-m-oxazine by condensing with 2-naphthol.

Specifications

Sinónimos

Hexahydro-2,4,6-trimethyl-1,3,5-triazine trihydrate | Acetaldehyde-ammonia trimer trihydrate | 2,4,6-trimethylhexa-hydro-1,3,5-triazin-trihydrat | FT-0621722 | 2,4,6-trimethyl-1,3,5-triazinane;trihydrate | Acetaldehyde ammonia trimer | 1,3,5-Triazine,hexa

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504760815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760815
• Sonrisas canónicas: CC1NC(NC(N1)C)C.O.O.O
• IUPAC Name: 2,4,6-trimethyl-1,3,5-triazinane;trihydrate
• InChIKey: VNJBGAOFYNEMRG-UHFFFAOYSA-N
• INCHI: 1S/C6H15N3.3H2O/c1-4-7-5(2)9-6(3)8-4;;;/h4-9H,1-3H3;3*1H2
• Isómeros SMILES: CC1NC(NC(N1)C)C.O.O.O
• WGK Alemania: 3
• RTECS: AB1950000
• Número ONU: 1841
• Peso molecular: 183.25
• Beilstein: 3910586
• Reaxy-Rn: 3910585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3910585&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazinanes
      • Subclass 1,3,5-triazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazinanes
• Subclass: 1,3,5-triazinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazinanes
• Alternative Parents: Dialkylamines Azacyclic compounds Aminals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,5-triazinane - Azacycle - Secondary amine - Secondary aliphatic amine - Aminal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
• External Descriptors: Not available

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: Soluble in water.
• Sensibilidad: heat,light,moisture and air sensitive
• Punto de inflamación (°F): 131℉
• Punto de inflamación (°C): 55°C
• Punto de ebullición (°C): 110°C
• Punto de fusión (°C): 95-97°C
• Peso molecular: 183.250 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 183.158 Da
• Monoisotopic Mass: 183.158 Da
• Topological Polar Surface Area: 39.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 63.300
• 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: 4

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