4,4'-Hexamethylenebis(1,1-dimethylsemicarbazide) - ≥98%(T) , CAS No.69938-76-7

CAS: 69938-76-7 Cat. No.: H157152 Peso molecular: 288.4

GRADE & PURITY ≥98%(T)

Synonyms

A914804 | AS-81422 | 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea | Hydrazinecarboxamide, N,N'-1,6-hexanediylbis(2,2-dimethyl- | SCHEMBL13776964 | AKOS024330827 | MFCD00089122 | E78888 | SY053896 | 1,6-Bis[3-(dimethylamino)ureido]hexane

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A914804 | AS-81422 | 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea | Hydrazinecarboxamide, N, N'-1, 6-hexanediylbis(2, 2-dimethyl- | SCHEMBL13776964 | AKOS024330827 | MFCD00089122 | E78888 | SY053896 | 1, 6-Bis[3-(dimethylamino)ureido]hexane

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488194858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194858
• Sonrisas canónicas: CN(C)NC(=O)NCCCCCCNC(=O)NN(C)C
• IUPAC Name: 1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
• InChIKey: VETHREXFBVHLJJ-UHFFFAOYSA-N
• INCHI: 1S/C12H28N6O2/c1-17(2)15-11(19)13-9-7-5-6-8-10-14-12(20)16-18(3)4/h5-10H2,1-4H3,(H2,13,15,19)(H2,14,16,20)
• Isómeros SMILES: CN(C)NC(=O)NCCCCCCNC(=O)NN(C)C
• Peso molecular: 288.4
• Reaxy-Rn: 5053689
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5053689&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 146 °C
• Peso molecular: 288.390 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 288.227 Da
• Monoisotopic Mass: 288.227 Da
• Topological Polar Surface Area: 88.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 255.000
• 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