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tert-butyl 1,6-diazaspiro[3.5]nonane-1-carboxylate - 97%, high purity
Discover tert-butyl 1,6-diazaspiro[3.5]nonane-1-carboxylate by Aladdin Scientific in 97% for only $434.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1251005-45-4 | tert-Butyl 1,6-diazaspiro[3.5]nonane-1-carboxylate | 1-BOC-1,6-DIAZASPIRO[3.5]NONANE | 1-BOC-1,6-DIAZA-SPIRO[3.5]NONANE | tert-butyl 1,8-diazaspiro[3.5]nonane-1-carboxylate | MFCD14581198 | 1,6-Diazaspiro[3.5]nonane-1-carboxylic acid, 1,1-dimethylethyl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Azetidinecarboxylic acids
Alternative Parents
Piperidines Carbamate esters Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azetidinecarboxylic acid - Piperidine - Carbamic acid ester - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
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 1,8-diazaspiro[3.5]nonane-1-carboxylate
INCHI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-6-12(14)5-4-7-13-9-12/h13H,4-9H2,1-3H3
InChIKey
CSDLLXOIJNMILT-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC12CCCNC2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.320 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
226.168 Da
Monoisotopic Mass
226.168 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
285.000
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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