1,1-Dimethylsemicarbazide - ≥96%(GC)(T) , CAS No.22718-49-6

CAS: 22718-49-6 Cat. No.: D155376 Molecular Weight: 103.13 Beilstein Registry Number: 4(3)1729

GRADE & PURITY ≥96%(GC)(T)

Synonyms

MFCD19203658 | 2,2-Dimethylhydrazine-1-carboxamide | Hydrazinecarboxamide, 2,2-dimethyl- | AKOS006340277 | D3854 | dimethylsemi carbazide | dimethylaminourea | SCHEMBL2034380 | 1,1-dimethylsemicarbazide | 2,2-Dimethylhydrazinecarboxamide | D90233

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD19203658 | 2, 2-Dimethylhydrazine-1-carboxamide | Hydrazinecarboxamide, 2, 2-dimethyl- | AKOS006340277 | D3854 | dimethylsemi carbazide | dimethylaminourea | SCHEMBL2034380 | 1, 1-dimethylsemicarbazide | 2, 2-Dimethylhydrazinecarboxamide | D90233

Specifications & Purity

≥96%(GC)(T)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%(GC)(T)

Names and Identifiers

• Canonical Smiles: CN(C)NC(=O)N
• IUPAC Name: dimethylaminourea
• InChIKey: SVZFWZRCMLRFOM-UHFFFAOYSA-N
• INCHI: 1S/C3H9N3O/c1-6(2)5-3(4)7/h1-2H3,(H3,4,5,7)
• Isomeric SMILES: CN(C)NC(=O)N
• Molecular Weight: 103.13
• Beilstein: 4(3)1729
• Reaxy-Rn: 1747569
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747569&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Semicarbazides
• Alternative Parents: Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Semicarbazide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as semicarbazides. These are organic compounds containing the semicarbazide functional group with the general structure R1(N)R2NR3C(=O)N(R4)R5 (R1-R5=H, alkyl, aryl), a derivative of urea, where the amine group on one side has been replace by a hydrazine 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Melt Point(°C): 140 °C
• Molecular Weight: 103.120 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 103.075 Da
• Monoisotopic Mass: 103.075 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.600
• 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. Linlu Shen, Hongyi Wang, Jing Kang, Jimin Shen, Pengwei Yan, Yingxu Gong, Jiaxu Zhang, Gang Fu, Shuyu Wang, Yizhen Cheng, Shengxin Zhao, Zhonglin Chen.  (2023)  Simultaneous elimination of N,N-dimethylhydrazine compounds and its oxidation by-product N-nitrosodimethylamine by UV-activated peroxymonosulfate process: Multiple-path mechanism validation and toxicity alteration.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.145837]