1,4,7-Trimethyl-1,4,7-triazacyclononane (stabilized with NaHCO₃) - ≥98%(GC) , CAS No.96556-05-7

CAS: 96556-05-7 Cat. No.: T162095 Peso molecular: 171.29 Beilstein Registry Number: 4174810 Número EC: 619-228-2 PubChem CID: 546957

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00012359 | UNII-R7BZK76RTP | 1H-1,4,7-Triazonine, octahydro-1,4,7-trimethyl- | BBL100621 | 1,4,7-Trimethyl-1,4,7-triazacyclononane | 1,4,7-Trimethyl-1,4,7-triazonane # | T1879 | n,n',n''-trimethyl-1,4,7-triazacyclononane | Octahydro-1,4,7-trimethyl-1H

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Useful ligand for preparing transition metal complexes (1,2,3).

Specifications

Sinónimos

MFCD00012359 | UNII-R7BZK76RTP | 1H-1, 4, 7-Triazonine, octahydro-1, 4, 7-trimethyl- | BBL100621 | 1, 4, 7-Trimethyl-1, 4, 7-triazacyclononane | 1, 4, 7-Trimethyl-1, 4, 7-triazonane # | T1879 | n, n', n''-trimethyl-1, 4, 7-triazacyclononane | Octahydro-1, 4, 7-trimethyl-1H

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CCN(CC1)C)C
• IUPAC Name: 1,4,7-trimethyl-1,4,7-triazonane
• InChIKey: WLDGDTPNAKWAIR-UHFFFAOYSA-N
• INCHI: 1S/C9H21N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H3
• Isómeros SMILES: CN1CCN(CCN(CC1)C)C
• WGK Alemania: 3
• PubChem CID: 546957
• Número ONU: 3267
• Grupo de embalaje: II
• Peso molecular: 171.29
• Beilstein: 4174810
• Reaxy-Rn: 4174812

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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 & Air sensitive
• Índice de refracción: 1.47
• Punto de inflamación (°F): 152.6 °F
• Punto de inflamación (°C): 68°C(lit.)
• Peso molecular: 171.280 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 171.174 Da
• Monoisotopic Mass: 171.174 Da
• Topological Polar Surface Area: 9.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 91.200
• 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

Referencias

1. Di Yu, Yu Luo, Xianfeng Guan, Shuyu Zhang, Wanzhen Wu, Tongtong Gao, Wenyu Bai, Shuang Wang.  (2024)  The effect of nitrogen positive sites on the proton conductivity and acid stability of polybenzimidazole-based proton exchange membranes.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.234656]