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tert-butyl 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 57477198

In stock

Item Number

T172315

Grouped product items
SKU	Size	Availability	Price	Qty
T172315-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,752.90

Basic Description

Synonyms	1174068-78-0 \| tert-Butyl 3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate \| tert-butyl 1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carboxylate \| tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate \| 2-Boc-3,4-Dihydropyrrolo[1,2-a]pyrazine \| SCHEMBL2752666 \| D
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Heteroaromatic compounds

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Heteroaromatic compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Heteroaromatic compounds
Alternative Parents	Pyrroles Carbamate esters Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Heteroaromatic compound - Carbamic acid ester - Pyrrole - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
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 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
INCHI	InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-7-13-6-4-5-10(13)9-14/h4-6H,7-9H2,1-3H3
InChIKey	YNCPJEVPKGVLGT-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN2C=CC=C2C1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.280 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	222.137 Da
Monoisotopic Mass	222.137 Da
Topological Polar Surface Area	34.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	273.000
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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