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4-fluoro-1-methylpiperidine-4-carboxylic acid - 97%, high purity , CAS No.1353498-52-8

COA

Grade & Purity:

≥97%

Cas Number: 1353498-52-8
Molecular Weight: 161.18
MDL number: MFCD21090694
PubChem CID: 54775550

In stock

Item Number

F628471

Grouped product items
SKU	Size	Availability	Price
F628471-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
F628471-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$341.90
F628471-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$568.90
F628471-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,024.90

Basic Description

Synonyms	4-Fluoro-1-methylpiperidine-4-carboxylic acid \| 1353498-52-8 \| SCHEMBL12699863 \| MFCD21090694 \| AKOS005264896 \| SB42835 \| AS-84548 \| EN300-381557 \| P21136
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	Heterocyclic fatty acids Halogenated fatty acids Branched fatty acids Amino fatty acids Alpha-halocarboxylic acids Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Heterocyclic fatty acid - Halogenated fatty acid - Branched fatty acid - Amino fatty acid - Fatty acyl - Fatty acid - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - 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	4-fluoro-1-methylpiperidine-4-carboxylic acid
INCHI	InChI=1S/C7H12FNO2/c1-9-4-2-7(8,3-5-9)6(10)11/h2-5H2,1H3,(H,10,11)
InChIKey	FQCVRGQFNJITLF-UHFFFAOYSA-N
Smiles	CN1CCC(CC1)(C(=O)O)F
Isomeric SMILES	CN1CCC(CC1)(C(=O)O)F
PubChem CID	54775550
Molecular Weight	161.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	161.170 g/mol
XLogP3	-1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	161.085 Da
Monoisotopic Mass	161.085 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	164.000
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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