6-Benzyl-1-oxa-6-azaspiro[2.5]octane - ≥98% , CAS No.19867-34-6

CAS: 19867-34-6 Cat. No.: B587965 Molecular Weight: 203.28 EC Number: 243-383-1

GRADE & PURITY ≥98%

Synonyms

1-benzylpiperidin-4-spiro-2'-oxirane | 6-benzyl-1-oxa-6-azaspiro[2,5]octane | BS-42758 | AM100469 | MFCD06808592 | A1-02895 | NSC 279911 | 6-(phenylmethyl)-1-oxa-6-azaspiro[2.5]octane | NSC279911 | NSC-279911 | SCHEMBL1966477 | 1-OXA-6-AZASPIRO(2.5)OCTANE

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1-benzylpiperidin-4-spiro-2'-oxirane | 6-benzyl-1-oxa-6-azaspiro[2, 5]octane | BS-42758 | AM100469 | MFCD06808592 | A1-02895 | NSC 279911 | 6-(phenylmethyl)-1-oxa-6-azaspiro[2.5]octane | NSC279911 | NSC-279911 | SCHEMBL1966477 | 1-OXA-6-AZASPIRO(2.5)OCTANE

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CCC12CO2)CC3=CC=CC=C3
• IUPAC Name: 6-benzyl-1-oxa-6-azaspiro[2.5]octane
• InChIKey: KJKHFQBTYMJFNP-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO/c1-2-4-12(5-3-1)10-14-8-6-13(7-9-14)11-15-13/h1-5H,6-11H2
• Isomeric SMILES: C1CN(CCC12CO2)CC3=CC=CC=C3
• Alternate CAS: 19867-34-6
• NSC Number: 279911
• Molecular Weight: 203.28
• Reaxy-Rn: 1073515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073515&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring 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: 203.280 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.131 Da
• Monoisotopic Mass: 203.131 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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: 1