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ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate - 97%, high purity , CAS No.1073559-59-7
Discover ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate by Aladdin Scientific in 97% for only $232.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
ETHYL 3-OXO-2-AZASPIRO[4.5]DECANE-8-CARBOXYLATE | 1073559-59-7 | SCHEMBL3026056 | AIIUIMMFKSQURO-UHFFFAOYSA-N | YSB55959 | MFCD20488669 | AKOS025290063 | AM90579 | PB35024 | AS-34384 | CS-0049482 | EN300-1700005 | Ethyl3-oxo-2-azaspiro[4,5]decane-8-carboxylate | A895445 | ETHYL3-OXO
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azaspirodecane - 2-pyrrolidone - Pyrrolidone - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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.
Names and Identifiers
IUPAC Name
ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate
INCHI
InChI=1S/C12H19NO3/c1-2-16-11(15)9-3-5-12(6-4-9)7-10(14)13-8-12/h9H,2-8H2,1H3,(H,13,14)
InChIKey
AIIUIMMFKSQURO-UHFFFAOYSA-N
Smiles
CCOC(=O)C1CCC2(CC1)CC(=O)NC2
Isomeric SMILES
CCOC(=O)C1CCC2(CC1)CC(=O)NC2
Molecular Weight
225.288
Reaxy-Rn
18652097
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18652097&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
225.280 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
225.136 Da
Monoisotopic Mass
225.136 Da
Topological Polar Surface Area
55.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
293.000
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
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