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(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine - 97%, high purity , CAS No.78342-42-4

COA

Grade & Purity:

≥97%

Cas Number: 78342-42-4
Molecular Weight: 184.24
Beilstein Registry Number: 3650245
MDL number: MFCD00066229
PubChem CID: 736065
PubChem SID: 504760039

In stock

Item Number

D111782

Grouped product items
SKU	Size	Availability	Price
D111782-0.25ml	0.25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
D111782-1ml	1ml	3	$140.90
D111782-5ml	5ml	2	$632.90

Basic Description

Synonyms	(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine \| (S)-2,5-dihydro-3,6-dimethoxy-2-iso-propylpyrazine \| (S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine, >=97.0% (GC) \| (2S)-2,5-Dihydro-3,6-dimethoxy-2-(1-methylethyl)pyrazine \| (S)-2-Isopropyl-3,6-dimet
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboximidic acids and derivatives
    - Subclass Imidoesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboximidic acids and derivatives
Subclass	Imidoesters
Intermediate Tree Nodes	Not available
Direct Parent	Imidolactones
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Imidolactone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as imidolactones. These are cyclic organooxygen compounds with the general structure R(=N)OR' where the central carbon atom is part of a ring, and R,R' = organyl 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504760039
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760039
IUPAC Name	(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
INCHI	InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChIKey	FCFWEOGTZZPCTO-QMMMGPOBSA-N
Smiles	CC(C)C1C(=NCC(=N1)OC)OC
Isomeric SMILES	CC(C)[C@H]1C(=NCC(=N1)OC)OC
WGK Germany	3
Molecular Weight	184.24
Beilstein	3650245
Reaxy-Rn	14236589
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14236589&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
I2227145	Certificate of Analysis	Aug 18, 2022	D111782
I2227146	Certificate of Analysis	Aug 18, 2022	D111782
F2510022	Certificate of Analysis	Aug 18, 2022	D111782

Chemical and Physical Properties

Specific Rotation[α]	104 ° (C=1, EtOH)
Molecular Weight	184.240 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.121 Da
Monoisotopic Mass	184.121 Da
Topological Polar Surface Area	43.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	234.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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