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tert-butyl N-[trans-4-fluoropyrrolidin-3-yl]carbamate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 22869549

In stock

Item Number

T175291

Grouped product items
SKU	Size	Availability	Price	Qty
T175291-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,888.90

Basic Description

Synonyms	186201-09-2 \| 213388-72-8 \| TRANS-(3-BOC-AMINO)-4-FLUOROPYRROLIDINE \| tert-butyl ((3S,4S)-4-fluoropyrrolidin-3-yl)carbamate \| (3S,4S)-(4-FLUORO-PYRROLIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER \| tert-Butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate \| tert-butyl (tra
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidines
Alternative Parents	Carbamate esters Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
INCHI	InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-/m0/s1
InChIKey	BZSDDSIFAGBZLT-BQBZGAKWSA-N
Smiles	CC(C)(C)OC(=O)NC1CNCC1F

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.240 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	204.127 Da
Monoisotopic Mass	204.127 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215.000
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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