6-(4-Methoxyphenyl)-2-methyl-3,7-dihydroimidazo[1,2-a]pyrazin-3(7H)-one hydrochloride - ≥98% , CAS No.128322-44-1

CAS: 128322-44-1 Cat. No.: M120795 Molecular Weight: 291.73 Beilstein Registry Number: 5838857 PubChem CID: 135739676

GRADE & PURITY ≥98%

Synonyms

2-Methyl-6-(4-methoxyphenyl)-3,7-dihydroimidazo[1,2-a]pyrazin-3-one Hydrochloride | NCGC00094552-01 | J-005593 | 6-(4-methoxyphenyl)-2-methyl-3,7-dihydroimidazo[1,2-a]pyrazin-3(7h)-one HCl | DTXSID40585003 | Diquatdibromide | 6-(4-methoxyphenyl)-2-methyl-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Methyl-6-(4-methoxyphenyl)-3, 7-dihydroimidazo[1, 2-a]pyrazin-3-one Hydrochloride | NCGC00094552-01 | J-005593 | 6-(4-methoxyphenyl)-2-methyl-3, 7-dihydroimidazo[1, 2-a]pyrazin-3(7h)-one HCl | DTXSID40585003 | Diquatdibromide | 6-(4-methoxyphenyl)-2-methyl-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504773422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773422
• Canonical Smiles: CC1=C(N2C=C(N=CC2=N1)C3=CC=C(C=C3)OC)O.Cl
• IUPAC Name: 6-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyrazin-3-ol;hydrochloride
• InChIKey: MXZACTZQSGYANA-UHFFFAOYSA-N
• INCHI: 1S/C14H13N3O2.ClH/c1-9-14(18)17-8-12(15-7-13(17)16-9)10-3-5-11(19-2)6-4-10;/h3-8,18H,1-2H3;1H
• Isomeric SMILES: CC1=C(N2C=C(N=CC2=N1)C3=CC=C(C=C3)OC)O.Cl
• WGK Germany: 3
• PubChem CID: 135739676
• Molecular Weight: 291.73
• Beilstein: 5838857
• Reaxy-Rn: 5838857

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrazines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrazines N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrazine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrazine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Ether - Hydrochloride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyrazines. These are organic heteropolycyclic compounds containing a pyrazine ring fused to an imidazole ring. These also include hydrogenated derivatives of the imidazopyrazine moiety. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Sensitivity: Light Sensitive；Moisture Sensitive；Heat sensitive
• Molecular Weight: 291.730 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 291.077 Da
• Monoisotopic Mass: 291.077 Da
• Topological Polar Surface Area: 59.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 307.000
• 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: 2

XLogP3

References

1. Sheng Zhan, Yuwei Duan, Zhike Liu, Lu Yang, Kun He, Yuhang Che, Wenjing Zhao, Yu Han, Shaomin Yang, Guangtao Zhao, Ningyi Yuan, Jianning Ding, Shengzhong (Frank) Liu.  (2022)  Stable 24.29%-Efficiency FA0.85MA0.15PbI3 Perovskite Solar Cells Enabled by Methyl Haloacetate-Lead Dimer Complex.  Advanced Energy Materials,  12  (27): (2200867).  [PMID:] [10.1002/aenm.202200867]