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1,4-di-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate - 97%, high purity , CAS No.1256815-07-2
Basic Description
Synonyms
1256815-07-2 | Di-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate | 1,4-di-tert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate | ditert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate | MFCD24471267 | 1,4-Piperazinedicarboxylic acid, 2-(aminomethyl)-, 1
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
Carbamate esters Tertiary amines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperazine-1-carboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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
ditert-butyl 2-(aminomethyl)piperazine-1,4-dicarboxylate
INCHI
InChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-7-8-18(11(9-16)10-17)13(20)22-15(4,5)6/h11H,7-10,16H2,1-6H3
InChIKey
XJELTUFOFGNOTB-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCN(C(C1)CN)C(=O)OC(C)(C)C
Isomeric SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)CN)C(=O)OC(C)(C)C
Molecular Weight
315.414
Reaxy-Rn
20806468
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20806468&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
315.410 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
315.216 Da
Monoisotopic Mass
315.216 Da
Topological Polar Surface Area
85.100 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
412.000
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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