3-Methyluracil - ≥98% , CAS No.608-34-4

CAS: 608-34-4 Cat. No.: M171155 Formula: C₅H₆N₂O₂ Peso molecolare: 126.11 Numero EC: 622-685-0

GRADE & PURITY ≥98%

Synonyms

EN300-297986 | 3-Methyluracil | AS-47233 | 1H-Indole-3-carboxaldehyde, 5-methoxy- | VPLZGVOSFFCKFC-UHFFFAOYSA-N | 2-hydroxy-3-methylpyrimidin-4(3H)-one | 3-methyl-1H-pyrimidine-2,4-dione | SCHEMBL13242249 | DTXSID30878779 | AKOS003348643 | F12763 | FT-069

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

EN300-297986 | 3-Methyluracil | AS-47233 | 1H-Indole-3-carboxaldehyde, 5-methoxy- | VPLZGVOSFFCKFC-UHFFFAOYSA-N | 2-hydroxy-3-methylpyrimidin-4(3H)-one | 3-methyl-1H-pyrimidine-2,4-dione | SCHEMBL13242249 | DTXSID30878779 | AKOS003348643 | F12763 | FT-069

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528759043
• Sorrisi canonici: CN1C(=O)C=CNC1=O
• IUPAC Name: 3-methyl-1H-pyrimidine-2,4-dione
• InChIKey: VPLZGVOSFFCKFC-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
• Isomeri SMILES: CN1C(=O)C=CNC1=O
• Peso molecolare: 126.11
• Reaxy-Rn: 117810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117810&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: pyrimidone - nucleobase analogue

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

Proprietà chimiche e fisiche

• Sensibilità: Air & Heat Sensitive
• Peso molecolare: 126.110 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.043 Da
• Monoisotopic Mass: 126.043 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 185.000
• 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