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1-(2-Methyl-benzyl)-piperidine-3-carboxylic acid - ≥97%, high purity , CAS No.896047-10-2

COA

Grade & Purity:

≥97%

Cas Number: 896047-10-2
Molecular Weight: 233.311
PubChem CID: 4311021

In stock

Item Number

P709135

Grouped product items
SKU	Size	Availability	Price	Qty
P709135-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$845.90

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	N-benzylpiperidines
Alternative Parents	Piperidinecarboxylic acids Phenylmethylamines Benzylamines Toluenes Aralkylamines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Piperidinecarboxylic acid - Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring 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-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
INCHI	InChI=1S/C14H19NO2/c1-11-5-2-3-6-12(11)9-15-8-4-7-13(10-15)14(16)17/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,17)
InChIKey	PMQYQFAXHRNQCW-UHFFFAOYSA-N
Smiles	CC1=CC=CC=C1CN2CCCC(C2)C(=O)O
Isomeric SMILES	CC1=CC=CC=C1CN2CCCC(C2)C(=O)O
PubChem CID	4311021
Molecular Weight	233.311

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	233.310 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	233.142 Da
Monoisotopic Mass	233.142 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	267.000
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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