1-Aminocyclohexanecarbonitrile hydrochloride - ≥97% , CAS No.50846-38-3

CAS: 50846-38-3 Cat. No.: A735454 Fórmula: C₇H₁₃ClN₂ Peso molecular: 160.64 PubChem CID: 198262

GRAU & PUREZA ≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528754457

Sorrisos canónicos

C1CCC(CC1)(C#N)N.Cl

IUPAC Name

1-aminocyclohexane-1-carbonitrile;hydrochloride

InChIKey

UZDHDPDJHBPQTQ-UHFFFAOYSA-N

INCHI

1S/C7H12N2.ClH/c8-6-7(9)4-2-1-3-5-7;/h1-5,9H2;1H

SMILES isoméricas

C1CCC(CC1)(C#N)N.Cl

PubChem CID

198262

Peso molecular

160.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Alpha-aminonitriles Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Alpha-aminonitrile - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine 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

Propriedades químicas e físicas

• Peso molecular: 160.640 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.077 Da
• Monoisotopic Mass: 160.077 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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: 2

XLogP3