1-azaspiro[4.5]decane-2,8-dione - ≥97% , CAS No.749861-03-8

CAS: 749861-03-8 Cat. No.: A177361 Molecular Weight: 167.205 EC Number: 800-778-9

GRADE & PURITY ≥97%

Synonyms

EN300-203965 | A846187 | 1-aza-spiro[4.5]decane-2,8-dione | 1-azaspiro[4.5]-decane-2,8-dione | 1-azaspiro[4.5]decane-2,8-dione | PB24181 | AKOS015950947 | DTXSID80465012 | SCHEMBL2040617 | 1-Azaspiro[4,5]decane-2,8-dione | Z1255497803 | FT-0728175 | SY111

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-203965 | A846187 | 1-aza-spiro[4.5]decane-2, 8-dione | 1-azaspiro[4.5]-decane-2, 8-dione | 1-azaspiro[4.5]decane-2, 8-dione | PB24181 | AKOS015950947 | DTXSID80465012 | SCHEMBL2040617 | 1-Azaspiro[4, 5]decane-2, 8-dione | Z1255497803 | FT-0728175 | SY111

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488197473
• Canonical Smiles: C1CC2(CCC1=O)CCC(=O)N2
• IUPAC Name: 1-azaspiro[4.5]decane-2,8-dione
• InChIKey: YYOZWKYDAIYBRI-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO2/c11-7-1-4-9(5-2-7)6-3-8(12)10-9/h1-6H2,(H,10,12)
• Isomeric SMILES: C1CC2(CCC1=O)CCC(=O)N2
• Molecular Weight: 167.205
• Reaxy-Rn: 9848216
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9848216&ln=

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: Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Cyclic ketone - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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: 167.200 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.095 Da
• Monoisotopic Mass: 167.095 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 225.000
• 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