N,N,N',N'-Tetramethyl-2-butene-1,4-diamine - ≥97%(GC) , CAS No.4559-79-9

CAS: 4559-79-9 Cat. No.: N159028 Peso molecular: 142.25 Beilstein Registry Number: 4(4)1387 Número EC: 224-928-2

GRADE & PURITY ≥97%(GC)

Synonyms

UNII-21QEG50798 | (E)-N,N,N',N'-Tetramethylbut-2-ene-1,4-diamine | DTXSID10883306 | (E)-N,N,N',N'-Tetramethyl-but-2-ene | s11829 | 2-Butene-1,4-diamine, N,N,N',N'-tetramethyl- | J-002595 | N,N,N',N'-Tetramethyl-2-butene-1,4-diamine, 95% | 6-diethoxyphosph

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

UNII-21QEG50798 | (E)-N, N, N', N'-Tetramethylbut-2-ene-1, 4-diamine | DTXSID10883306 | (E)-N, N, N', N'-Tetramethyl-but-2-ene | s11829 | 2-Butene-1, 4-diamine, N, N, N', N'-tetramethyl- | J-002595 | N, N, N', N'-Tetramethyl-2-butene-1, 4-diamine, 95% | 6-diethoxyphosph

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: CN(C)CC=CCN(C)C
• IUPAC Name: (E)-N,N,N',N'-tetramethylbut-2-ene-1,4-diamine
• InChIKey: KUEDAAUECWBMLW-AATRIKPKSA-N
• INCHI: 1S/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3/b6-5+
• Isómeros SMILES: CN(C)C/C=C/CN(C)C
• Número ONU: 2734
• Grupo de embalaje: II
• Peso molecular: 142.25
• Beilstein: 4(4)1387
• Reaxy-Rn: 1746287
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746287&ln=

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: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic 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

• Sensibilidad: air sensitive
• Índice de refracción: 1.4416
• Punto de inflamación (°F): 123.8 °F
• Punto de inflamación (°C): 50°C(lit.)
• Punto de ebullición (°C): 171-172 °C/735 mmHg
• Peso molecular: 142.240 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.147 Da
• Monoisotopic Mass: 142.147 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 83.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1