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tert-butyl 3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate - 97%, high purity
Discover tert-butyl 3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate by Aladdin Scientific in 97% for only $4,670.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1245917-55-8 | 9-BOC-3,5-DIOXO-2,9-DIAZASPIRO[5.5]UNDECANE | tert-butyl 3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate | 9-Boc-3,5-dioxo-2,9-diaza... | MFCD20926184 | 9-Boc-2,9-diazaspiro[5.5]undecane-3,5-dione | 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 3,
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 Piperidinediones Delta lactams 1,3-dicarbonyl compounds Carbamate esters Tertiary amines Secondary carboxylic acid amides Ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azaspirodecane - Piperidinecarboxylic acid - Piperidinedione - Delta-lactam - Piperidinone - Piperidine - 1,3-dicarbonyl compound - Carbamic acid ester - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - 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.
Names and Identifiers
IUPAC Name
tert-butyl 3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
INCHI
InChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)16-6-4-14(5-7-16)9-15-11(18)8-10(14)17/h4-9H2,1-3H3,(H,15,18)
InChIKey
KTUOBYLQQOEIAE-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)CC2=O
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
282.340 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
282.158 Da
Monoisotopic Mass
282.158 Da
Topological Polar Surface Area
75.700 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
431.000
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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