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tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate - 97%, high purity
Discover tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate by Aladdin Scientific in 97% for only $3,036.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1240782-81-3 | tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate | (1R,4R)-2-Boc-2,5-diazabicyclo(2.2.2)octane | 1187931-66-3 | (1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate | 2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid, 1,1-dimeth
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Piperazine carboxylic acids and derivatives
Direct Parent
Piperazine carboxylic acids
Alternative Parents
Piperidinecarboxylic acids Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperazine-1-carboxylic acid - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
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 (1R,4R)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
INCHI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-9(13)6-12-8/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKey
RBLOMFQUEUBEBG-RKDXNWHRSA-N
Smiles
CC(C)(C)OC(=O)N1CC2CCC1CN2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
212.290 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
212.152 Da
Monoisotopic Mass
212.152 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
260.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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