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1-tert-Butyl 4-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate - 97%, high purity , CAS No.495414-81-8

COA

Grade & Purity:

≥97%

Cas Number: 495414-81-8
Molecular Weight: 296.36
PubChem CID: 53302074

In stock

Item Number

T193568

Grouped product items
SKU	Size	Availability	Price	Qty
T193568-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
T193568-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90

Discover 1-tert-Butyl 4-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate by Aladdin Scientific in 97% for only $26.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	495414-81-8 \| 1-tert-Butyl 4-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate \| 1-O-tert-butyl 4-O-ethyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate \| 1,4-Piperidinedicarboxylic acid, 4-(cyanomethyl)-, 1-(1,1-dimethylethyl) 4-ethyl ester \| 1-(tert-butyl) 4-ethyl
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Fatty acid esters Carbamate esters Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Fatty acid ester - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Cyanide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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 4-(cyanomethyl)piperidine-1,4-dicarboxylate
INCHI	InChI=1S/C15H24N2O4/c1-5-20-12(18)15(6-9-16)7-10-17(11-8-15)13(19)21-14(2,3)4/h5-8,10-11H2,1-4H3
InChIKey	BLRYELPWMVHGPZ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC#N
Isomeric SMILES	CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC#N
PubChem CID	53302074
Molecular Weight	296.36

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	296.360 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	296.174 Da
Monoisotopic Mass	296.174 Da
Topological Polar Surface Area	79.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	436.000
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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