5,8-dioxa-2-azaspiro[3.4]octane hydrochloride - ≥97% , CAS No.947533-98-4

CAS: 947533-98-4 Cat. No.: D635290 EC Number: 876-241-8 PubChem CID: 57364771

GRADE & PURITY ≥97%

Synonyms

P20194 | AS-77813 | 5,8-Dioxa-2-azaspiro[3.4]octane HCl | MFCD13182379 | 5,8-DIOXA-2-AZASPIRO[3.4]OCTANE HYDROCHLORIDE | PB43938 | 5,8-DIOXA-2-AZA-SPIRO[3.4]OCTANE, HYDROCHLORIDE | 5,8-dioxa-2-azaspiro[3.4]octane;hydrochloride | SY343837

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

P20194 | AS-77813 | 5, 8-Dioxa-2-azaspiro[3.4]octane HCl | MFCD13182379 | 5, 8-DIOXA-2-AZASPIRO[3.4]OCTANE HYDROCHLORIDE | PB43938 | 5, 8-DIOXA-2-AZA-SPIRO[3.4]OCTANE, HYDROCHLORIDE | 5, 8-dioxa-2-azaspiro[3.4]octane;hydrochloride | SY343837

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COC2(O1)CNC2.Cl
• IUPAC Name: 5,8-dioxa-2-azaspiro[3.4]octane;hydrochloride
• InChIKey: QOPGEYCLVHZLGP-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO2.ClH/c1-2-8-5(7-1)3-6-4-5;/h6H,1-4H2;1H
• Isomeric SMILES: C1COC2(O1)CNC2.Cl
• Alternate CAS: 947533-98-4
• PubChem CID: 57364771

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Azetidines Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Ketal - Meta-dioxolane - Azetidine - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Chemical and Physical Properties

• Molecular Weight: 151.590 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.04 Da
• Monoisotopic Mass: 151.04 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.600
• 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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