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(S)-tert-Butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride - 95%, high purity , CAS No.1638487-43-0
Discover (S)-tert-Butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride by Aladdin Scientific in 95% for only $717.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1638487-43-0 | (S)-tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride | tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride | 1-Piperazinecarboxylic acid, 2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), (
Specifications & Purity
≥95%
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
Carbamate esters Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperazine-1-carboxylic acid - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrochloride - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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 (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
INCHI
InChI=1S/C11H22N2O3.ClH/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14;/h9,12,14H,4-8H2,1-3H3;1H/t9-;/m0./s1
InChIKey
IHAAIADIADPGMB-FVGYRXGTSA-N
Smiles
CC(C)(C)OC(=O)N1CCNCC1CCO.Cl
Isomeric SMILES
CC(C)(C)OC(=O)N1CCNC[C@@H]1CCO.Cl
PubChem CID
53484862
Molecular Weight
266.77
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
266.760 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
266.14 Da
Monoisotopic Mass
266.14 Da
Topological Polar Surface Area
61.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
238.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
2
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