methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate;hydrochloride - ≥97% , CAS No.1392804-61-3

CAS: 1392804-61-3 Cat. No.: M628852 PubChem CID: 72208086

GRADE & PURITY ≥97%

Synonyms

P13677 | SY322495 | PB38067 | methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate;hydrochloride | PS-17419 | methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate hydrochloride | methyl1-oxa-8-azaspiro[4.5]decane-2-carboxylatehydrochloride | 1392804-61-3 | METHYL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

P13677 | SY322495 | PB38067 | methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate;hydrochloride | PS-17419 | methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate hydrochloride | methyl1-oxa-8-azaspiro[4.5]decane-2-carboxylatehydrochloride | 1392804-61-3 | METHYL

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: COC(=O)C1CCC2(O1)CCNCC2.Cl
• IUPAC Name: methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate;hydrochloride
• InChIKey: VQGWSYGBHOLWKV-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO3.ClH/c1-13-9(12)8-2-3-10(14-8)4-6-11-7-5-10;/h8,11H,2-7H2,1H3;1H
• Isomeric SMILES: COC(=O)C1CCC2(O1)CCNCC2.Cl
• Alternate CAS: 1392804-61-3
• PubChem CID: 72208086

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 Oxolanes Methyl esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Piperidine - Oxolane - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Secondary amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Hydrochloride - 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

• Molecular Weight: 235.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.098 Da
• Monoisotopic Mass: 235.098 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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: 2

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