N-Cyclohexylhydroxylamine , CAS No.2211-64-5

CAS: 2211-64-5 Cat. No.: I168702 Fórmula: C₆H₁₁NHOH Peso molecular: 115.17 Número EC: 218-650-0

Synonyms

4-15-00-00003 (Beilstein Handbook Reference) | SCHEMBL243510 | BRN 0605426 | EINECS 218-650-0 | Cyclohexanamine, N-hydroxy- | N-Hydroxycyclohexylamine | Q27266009 | MFCD00021287 | 722GHL96BJ | AKOS016000592 | Hydroxylamine, N-cyclohexyl- | EN300-1723885 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

· Aldehyde-catalyzed intermolecular hydroamination · Condensation reactions · Preparation of cyclin-dependent kinase inhibitors selective for multiple cyclin-dependent kinases for potential use as antitumor agents · Preparation of hydroxyurea derivatives as small molecule bradykinin B1 receptor antagonists

Specifications

Sinónimos

4-15-00-00003 (Beilstein Handbook Reference) | SCHEMBL243510 | BRN 0605426 | EINECS 218-650-0 | Cyclohexanamine, N-hydroxy- | N-Hydroxycyclohexylamine | Q27266009 | MFCD00021287 | 722GHL96BJ | AKOS016000592 | Hydroxylamine, N-cyclohexyl- | EN300-1723885 |

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

Pubchem Sid

528766100

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528766100

Sonrisas canónicas

C1CCC(CC1)NO

IUPAC Name

N-cyclohexylhydroxylamine

InChIKey

GUQRKZPMVLRXLT-UHFFFAOYSA-N

INCHI

1S/C6H13NO/c8-7-6-4-2-1-3-5-6/h6-8H,1-5H2

Isómeros SMILES

C1CCC(CC1)NO

WGK Alemania

2

RTECS

NC3410400

Peso molecular

115.17

Reaxy-Rn

605426

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass N-organohydroxylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: N-organohydroxylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-organohydroxylamines
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: N-organohydroxylamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-organohydroxylamines. These are organic compounds comprising the hydroxylamine functional group, with the general structure R1ON(R2)R3 (R1,R3=H, organyl; R2 = organyl).
• 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): 139-140℃
• Peso molecular: 115.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.500
• 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