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tert-butyl 3-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate - 97%, high purity
Basic Description
Synonyms
1160246-75-2 | TERT-BUTYL 3-OXO-2,6-DIAZASPIRO[4.5]DECANE-6-CARBOXYLATE | MFCD12198509 | 2,6-DIAZASPIRO[4.5]DECANE-6-CARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER | tert-Butyl3-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate | SCHEMBL6922049 | DTXSID701174451 | AKOS0272
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
Piperidinecarboxylic acids Pyrrolidine-2-ones Carbamate esters Tertiary amines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azaspirodecane - Piperidinecarboxylic acid - Piperidine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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
tert-butyl 3-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate
INCHI
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-7-5-4-6-13(15)8-10(16)14-9-13/h4-9H2,1-3H3,(H,14,16)
InChIKey
UDYQKDLGHFIANF-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCCCC12CC(=O)NC2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
254.330 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
254.163 Da
Monoisotopic Mass
254.163 Da
Topological Polar Surface Area
58.600 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
362.000
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
1
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