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Ethyl 1-benzylhexahydropyrrolo[3，4-b]pyrrole-5(1H)-carboxylate - ≥95%, high purity , CAS No.132414-78-9

COA

Grade & Purity:

≥95%

Cas Number: 132414-78-9
Molecular Weight: 274.36
PubChem CID: 11086974

In stock

Item Number

E725530

Grouped product items
SKU	Size	Availability	Price
E725530-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$907.90
E725530-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,008.90
E725530-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,680.90

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	Phenylmethylamines Benzylamines Aralkylamines N-alkylpyrrolidines Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Pyrrolidine carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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	ethyl 1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
INCHI	InChI=1S/C16H22N2O2/c1-2-20-16(19)18-11-14-8-9-17(15(14)12-18)10-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKey	YPNVJYVXTBJLRR-UHFFFAOYSA-N
Smiles	CCOC(=O)N1CC2CCN(C2C1)CC3=CC=CC=C3
Isomeric SMILES	CCOC(=O)N1CC2CCN(C2C1)CC3=CC=CC=C3
PubChem CID	11086974
Molecular Weight	274.36

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	274.360 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	274.168 Da
Monoisotopic Mass	274.168 Da
Topological Polar Surface Area	32.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	341.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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Ethyl 1-benzylhexahydropyrrolo[3，4-b]pyrrole-5(1H)-carboxylate - ≥95%, high purity , CAS No.132414-78-9

Basic Description