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tert-butyl 4-(1-ethoxycyclopropanecarbonyl)piperazine-1-carboxylate - 97%, high purity
Basic Description
Synonyms
1788041-42-8 | tert-Butyl 4-(1-ethoxycyclopropanecarbonyl)piperazine-1-carboxylate | MFCD28502551 | 1-Piperazinecarboxylic acid, 4-[(1-ethoxycyclopropyl)carbonyl]-, 1,1-dimethylethyl ester | 1-Boc-4-(1-ethoxycyclopropanecarbonyl)piperazine | DTXSID801123520 | AKOS025
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
Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Carbamate esters Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperazine-1-carboxylic acid - Cyclopropanecarboxylic acid or derivatives - Tertiary carboxylic acid amide - Carbamic acid ester - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic 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 4-(1-ethoxycyclopropanecarbonyl)piperazine-1-carboxylate
INCHI
InChI=1S/C15H26N2O4/c1-5-20-15(6-7-15)12(18)16-8-10-17(11-9-16)13(19)21-14(2,3)4/h5-11H2,1-4H3
InChIKey
VPMAFGGDBMPXNI-UHFFFAOYSA-N
Smiles
CCOC1(CC1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
298.380 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
298.189 Da
Monoisotopic Mass
298.189 Da
Topological Polar Surface Area
59.100 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
404.000
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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