N-1-adamantylhydrazinecarboxamide - ≥97% , CAS No.26496-36-6

CAS: 26496-36-6 Cat. No.: N1062242 Peso molecular: 209.29 PubChem CID: 1538511

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C2CC3CC1CC(C2)(C3)NC(=O)NN
• IUPAC Name: 1-(1-adamantyl)-3-aminourea
• InChIKey: OZUYDSURXVXCJV-UHFFFAOYSA-N
• INCHI: 1S/C11H19N3O/c12-14-10(15)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2,(H2,13,14,15)
• Isómeros SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NN
• PubChem CID: 1538511
• Peso molecular: 209.29

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 carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Semicarbazide - Carbonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic 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

• Peso molecular: 209.290 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.153 Da
• Monoisotopic Mass: 209.153 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 248.000
• 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