methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride - ≥97% , CAS No.1523606-26-9

CAS: 1523606-26-9 Cat. No.: M629558

GRADE & PURITY ≥97%

Synonyms

methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride | 1523606-26-9 | 1524708-14-2 | 1363382-76-6 | 3-OXA-9-AZA-BICYCLO[3.3.1]NONANE-7-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE | 3-Oxa-9-aza-bicyclo[3.3.1]nonane-7-carboxylic acid methyl est

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride | 1523606-26-9 | 1524708-14-2 | 1363382-76-6 | 3-OXA-9-AZA-BICYCLO[3.3.1]NONANE-7-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE | 3-Oxa-9-aza-bicyclo[3.3.1]nonane-7-carboxylic acid methyl est

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)C1CC2COCC(C1)N2.Cl
• IUPAC Name: methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
• InChIKey: OBNNZVYDLXVPRB-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO3.ClH/c1-12-9(11)6-2-7-4-13-5-8(3-6)10-7;/h6-8,10H,2-5H2,1H3;1H
• Isomeric SMILES: COC(=O)C1CC2COCC(C1)N2.Cl
• Reaxy-Rn: 47888722
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47888722&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Morpholines 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: Piperidinecarboxylic acid - Morpholine - Oxazinane - 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 - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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: 221.680 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.082 Da
• Monoisotopic Mass: 221.082 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 195.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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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