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(3R,4S)-1-tert-butoxycarbonyl-3-fluoro-piperidine-4-carboxylic acid - 97%, high purity , CAS No.1932149-31-9

COA

Grade & Purity:

≥97%

Cas Number: 1932149-31-9
Molecular Weight: 247.26
MDL number: MFCD28016234
PubChem CID: 86335726

In stock

Item Number

T631083

Grouped product items
SKU	Size	Availability	Price
T631083-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,016.90
T631083-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,626.90
T631083-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,710.90

Basic Description

Synonyms	1628475-90-0 \| Cis-1-(tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid \| (3,4)-cis-1-(tert-Butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid \| 1932149-31-9 \| (3R,4S)-1-tert-butoxycarbonyl-3-fluoro-piperidine-4-carboxylic acid \| (3R,4S)-1-(TERT
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	Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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	(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
INCHI	InChI=1S/C11H18FNO4/c1-11(2,3)17-10(16)13-5-4-7(9(14)15)8(12)6-13/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChIKey	VAXFBQGBIHPZCF-SFYZADRCSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(C(C1)F)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)F)C(=O)O
PubChem CID	86335726
Molecular Weight	247.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.260 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	247.122 Da
Monoisotopic Mass	247.122 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	313.000
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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