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1-tert-butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate - 97%, high purity , CAS No.362703-35-3
Basic Description
Synonyms
362703-35-3 | 1-tert-butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate | Methyl 4-aminomethyl-1-Boc-piperidine-4-carboxylate | 1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate | Methyl 1-Boc-4-aminomethylpiperidine-4-carboxylate | MFCD
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Piperidinecarboxylic acids Methyl esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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
1-O-tert-butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
INCHI
InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3
InChIKey
HZHZQEZZXBLFHO-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)(CN)C(=O)OC
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN)C(=O)OC
PubChem CID
25418822
Molecular Weight
272.345
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
272.340 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
272.174 Da
Monoisotopic Mass
272.174 Da
Topological Polar Surface Area
81.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
341.000
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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