N,N,N',N'-Tetramethyldiaminomethane - ≥98%(GC) , CAS No.51-80-9

CAS: 51-80-9 Cat. No.: N159372 Peso molecular: 102.18 Número EC: 200-124-7

GRADE & PURITY ≥98%(GC)

Synonyms

N,N,N',N'-Tetramethyldiaminomethan | N,N,N',N'-Tetramethyldiaminomethane | n,n,n,n-tetramethyldiaminomethane | bisdimethylaminomethane | Bis-dimethylaminomethane | bis-dimethylamino-methane | Dimethyl[(dimethylamino)methyl]amine | N,N,N',N'-Tetramethyldia

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

N, N, N', N'-Tetramethyldiaminomethan | N, N, N', N'-Tetramethyldiaminomethane | n, n, n, n-tetramethyldiaminomethane | bisdimethylaminomethane | Bis-dimethylaminomethane | bis-dimethylamino-methane | Dimethyl[(dimethylamino)methyl]amine | N, N, N', N'-Tetramethyldia

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488179949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179949
• Sonrisas canónicas: CN(C)CN(C)C
• IUPAC Name: N,N,N',N'-tetramethylmethanediamine
• InChIKey: VGIVLIHKENZQHQ-UHFFFAOYSA-N
• INCHI: 1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3
• Isómeros SMILES: CN(C)CN(C)C
• WGK Alemania: 3
• RTECS: PA6700000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 102.18
• Reaxy-Rn: 1731946
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731946&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Aminals

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Aminals
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminals
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aminal - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminals. These are compounds having two amino groups bonded to the same carbon, R2C(NR2)2 where R can by a hydrogen or an alkyl group.
• 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: Fully miscible in water.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.3990 to 1.4030
• Punto de inflamación (°F): 12.2 °F
• Punto de inflamación (°C): 2°C
• Punto de ebullición (°C): 84°C
• Punto de fusión (°C): -55℃
• Peso molecular: 102.180 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 102.116 Da
• Monoisotopic Mass: 102.116 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.300
• 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: 1

Referencias

1. Xiaogang Lu, Zixuan Zhang, Haibo Liu, Hui Tang, Runli Gao, Chengxin Pei, Hongmei Wang, Junhua Xiao.  (2021)  Forensic signatures of a chemical weapon precursor DMPADC for determination of a synthetic route.  TALANTA,      [PMID:34074444] [10.1016/j.talanta.2021.122476]