1-Oxa-8-azaspiro[4.5]decan-2-one hydrochloride - ≥97% , CAS No.374794-92-0

CAS: 374794-92-0 Cat. No.: O635900 Molecular Weight: 191.66

GRADE & PURITY ≥97%

Synonyms

A874094 | 1-OXA-8-AZASPIRO[4.5]DECAN-2-ONE HCL | FT-0648825 | 1-Oxa-8-azaspiro[4.5]decan-2-one hydrochloride | MFCD11869757 | J-505038 | 1-Oxa-8-azaspiro[4.5]decan-2-one, hydrochloride | SCHEMBL5766194 | AM20090603 | 1-Oxa-8-azaspiro[4.5]decan-2-one--hydr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

A874094 | 1-OXA-8-AZASPIRO[4.5]DECAN-2-ONE HCL | FT-0648825 | 1-Oxa-8-azaspiro[4.5]decan-2-one hydrochloride | MFCD11869757 | J-505038 | 1-Oxa-8-azaspiro[4.5]decan-2-one, hydrochloride | SCHEMBL5766194 | AM20090603 | 1-Oxa-8-azaspiro[4.5]decan-2-one--hydr

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: C1CC2(CCNCC2)OC1=O.Cl
• IUPAC Name: 1-oxa-8-azaspiro[4.5]decan-2-one;hydrochloride
• InChIKey: ULPFGPYNQZRJOX-UHFFFAOYSA-N
• INCHI: 1S/C8H13NO2.ClH/c10-7-1-2-8(11-7)3-5-9-6-4-8;/h9H,1-6H2;1H
• Isomeric SMILES: C1CC2(CCNCC2)OC1=O.Cl
• Alternate CAS: 374794-92-0；167364-29-6
• Molecular Weight: 191.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Piperidines Gamma butyrolactones Oxolanes Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Piperidine - Gamma butyrolactone - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 191.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.071 Da
• Monoisotopic Mass: 191.071 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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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