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tert-butyl 3-methylidenepyrrolidine-1-carboxylate - 97%, high purity , CAS No.114214-71-0

COA

Grade & Purity:

≥97%

Cas Number: 114214-71-0
Molecular Weight: 183.251
PubChem CID: 15297967

In stock

Item Number

T172133

Grouped product items
SKU	Size	Availability	Price
T172133-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
T172133-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$245.90
T172133-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$442.90

Discover tert-butyl 3-methylidenepyrrolidine-1-carboxylate by Aladdin Scientific in 97% for only $54.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	114214-71-0 \| tert-butyl 3-methylenepyrrolidine-1-carboxylate \| tert-butyl 3-methylidenepyrrolidine-1-carboxylate \| 1-Boc-3-methylenepyrrolidine \| 1-Pyrrolidinecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester \| MFCD12407903 \| 3-Methylenepyrrolidine-1-carboxylic
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine 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 3-methylidenepyrrolidine-1-carboxylate
INCHI	InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h1,5-7H2,2-4H3
InChIKey	PXTONRTYYUAUJU-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(=C)C1
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC(=C)C1
PubChem CID	15297967
Molecular Weight	183.251

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	183.250 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	183.126 Da
Monoisotopic Mass	183.126 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	228.000
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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