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3-Benzyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester - 95%, high purity , CAS No.170838-83-2

COA

Grade & Purity:

≥95%

Cas Number: 170838-83-2
Molecular Weight: 319.4
PubChem CID: 3695464

In stock

Item Number

B182030

Grouped product items
SKU	Size	Availability	Price
B182030-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90
B182030-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$271.90
B182030-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$812.90
B182030-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,462.90

Basic Description

Synonyms	170838-83-2 \| 3-Benzyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester \| 1-[(tert-butyl)oxycarbonyl]-3-benzylpiperidine-3-carboxylic acid \| 3-benzyl-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid \| 1-boc-3-benzyl-3-piperidinecarboxylic acid \| 1-Boc-3-benzy
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Benzylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	3-benzylpiperidines
Alternative Parents	Phenylpropanoic acids Piperidinecarboxylic acids Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-benzylpiperidine - 3-phenylpropanoic-acid - Piperidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 3-position of a piperidine.
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	3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
INCHI	InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-7-10-18(13-19,15(20)21)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)
InChIKey	SLWITFDUIZLEJL-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)O
Molecular Weight	319.4
Reaxy-Rn	24113364
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24113364&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	319.400 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	319.178 Da
Monoisotopic Mass	319.178 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	437.000
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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