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 Peso molecular: 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

Sinónimos

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-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504773422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773422
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=C(N2C=C(N=CC2=N1)C3=CC=C(C=C3)OC)O.Cl
• WGK Alemania: 3
• PubChem CID: 135739676
• Peso molecular: 291.73
• Beilstein: 5838857
• Reaxy-Rn: 5838857

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive；Moisture Sensitive；Heat sensitive
• Peso molecular: 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

Referencias

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]