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(S)-tert-Butyl 2-isobutylpiperazine-1-carboxylate hydrochloride - ≧95%, high purity , CAS No.1217456-63-7
Discover (S)-tert-Butyl 2-isobutylpiperazine-1-carboxylate hydrochloride by Aladdin Scientific in ≧95% for only $790.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1217456-63-7 | (S)-tert-Butyl 2-isobutylpiperazine-1-carboxylate hydrochloride | (S)-1-N-BOC-2-ISOBUTYLPIPERAZINE-HCl | (s)-1-n-boc-2-isobutylpiperazine hydrochloride | tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride | DTXSID90662474 | (S)-te
Specifications & Purity
≥95%
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 Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperazine-1-carboxylic acid - Carbamic acid ester - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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-methylpropyl)piperazine-1-carboxylate;hydrochloride
INCHI
InChI=1S/C13H26N2O2.ClH/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5;/h10-11,14H,6-9H2,1-5H3;1H/t11-;/m0./s1
InChIKey
RQWJCFZPHVSVNK-MERQFXBCSA-N
Smiles
CC(C)CC1CNCCN1C(=O)OC(C)(C)C.Cl
Isomeric SMILES
CC(C)C[C@H]1CNCCN1C(=O)OC(C)(C)C.Cl
PubChem CID
45072236
Molecular Weight
278.83
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.820 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
278.176 Da
Monoisotopic Mass
278.176 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
259.000
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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