2-Hydroxy-2-(oxan-4-yl)acetamide - ≥98% , CAS No.1248216-44-5

CAS: 1248216-44-5 Cat. No.: H972545 Summenformel: C₇H₁₃NO₃ Molekulargewicht: 159.19 EG-Nummer: 852-073-0 PubChem CID: 62390559

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1COCCC1C(C(=O)N)O

IUPAC Name

2-hydroxy-2-(oxan-4-yl)acetamide

InChIKey

KOEHHYFUIVEIQO-UHFFFAOYSA-N

INCHI

1S/C7H13NO3/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6,9H,1-4H2,(H2,8,10)

Isomere SMILES

C1COCCC1C(C(=O)N)O

PubChem CID

62390559

Molekulargewicht

159.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Secondary alcohols Primary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen 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: 159.180 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 159.09 Da
• Monoisotopic Mass: 159.09 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1