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

CAS: 608-34-4 Cat. No.: M171155 분자식: C₅H₆N₂O₂ 분자량: 126.11 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

Pubchem Sid

528759043

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759043

정식 스마일

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)

이성체 SMILES

CN1C(=O)C=CNC1=O

분자량

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
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air & Heat Sensitive
• 분자량: 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