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O1-tert-butyl O4-ethyl (3S,4S)-3-aminopiperidine-1,4-dicarboxylate - 97%, high purity , CAS No.1006891-30-0

COA

Grade & Purity:

≥97%

Cas Number: 1006891-30-0
Molecular Weight: 272.34
PubChem CID: 58582409

In stock

Item Number

O626497

Grouped product items
SKU	Size	Availability	Price
O626497-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
O626497-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$496.90
O626497-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$827.90
O626497-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,490.90

Basic Description

Synonyms	1006891-30-0 \| O1-tert-butyl O4-ethyl (3S,4S)-3-aminopiperidine-1,4-dicarboxylate \| 1-tert-Butyl 4-ethyl (3S,4S)-3-aminopiperidine-1,4-dicarboxylate \| 1-O-tert-butyl 4-O-ethyl (3S,4S)-3-aminopiperidine-1,4-dicarboxylate \| SCHEMBL21682548 \| MFCD31743997 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

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 Aminopiperidines Carbamate esters Tertiary amines Carboxylic acid 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 - 3-aminopiperidine - Piperidine - Carbamic acid ester - Carboxylic acid ester - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-O-tert-butyl 4-O-ethyl (3S,4S)-3-aminopiperidine-1,4-dicarboxylate
INCHI	InChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-15(8-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3/t9-,10+/m0/s1
InChIKey	HWBQJXRREBQWDK-VHSXEESVSA-N
Smiles	CCOC(=O)C1CCN(CC1N)C(=O)OC(C)(C)C
Isomeric SMILES	CCOC(=O)[C@H]1CCN(C[C@H]1N)C(=O)OC(C)(C)C
PubChem CID	58582409
Molecular Weight	272.34

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	272.340 g/mol
XLogP3	1.100
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 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	338.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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