N'-hydroxy-2-piperidin-1-ylethanimidamide , CAS No.175136-64-8

CAS: 175136-64-8 Cat. No.: N1246883 Summenformel: C₇H₁₅N₃O Molekulargewicht: 157.21 EG-Nummer: 681-396-8 PubChem CID: 9580383

Storage

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Shipped In

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Specifications

Storage

Room temperature

Verschickt in

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Namen und Kennungen

• Kanonisches Lächeln: C1CCN(CC1)CC(=NO)N
• IUPAC Name: N'-hydroxy-2-piperidin-1-ylethanimidamide
• InChIKey: FWFVZEXRAAFFEU-UHFFFAOYSA-N
• INCHI: 1S/C7H15N3O/c8-7(9-11)6-10-4-2-1-3-5-10/h11H,1-6H2,(H2,8,9)
• Isomere SMILES: C1CCN(CC1)C/C(=N/O)/N
• PubChem CID: 9580383
• Molekulargewicht: 157.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Amidoximes Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Amidoxime - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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: 157.210 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.122 Da
• Monoisotopic Mass: 157.122 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1