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

CAS: 51-80-9 Cat. No.: N159372 Molecular Weight: 102.18 EC Number: 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

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488179949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179949
• Canonical Smiles: 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
• Isomeric SMILES: CN(C)CN(C)C
• WGK Germany: 3
• RTECS: PA6700000
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Aminals

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Fully miscible in water.
• Sensitivity: Air sensitive
• Refractive Index: 1.3990 to 1.4030
• Flash Point(°F): 12.2 °F
• Flash Point(°C): 2°C
• Boil Point(°C): 84°C
• Melt Point(°C): -55℃
• Molecular Weight: 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

References

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]