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

CAS: 50846-38-3 Cat. No.: A735454 Summenformel: C₇H₁₃ClN₂ Molekulargewicht: 160.64 PubChem CID: 198262

QUALITÄT & REINHEIT ≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528754457

Kanonisches Lächeln

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

Isomere SMILES

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

PubChem CID

198262

Molekulargewicht

160.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

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