4(3H)-Pyrimidinone, 3-methyl- 3-甲基嘧啶-4(3H)-酮

CAS 6104-45-6 MFCD06104456

化学结构图

6104-45-6
SMILES: Cn1cnccc1=O

化学属性

Mol. FormulaC5H6N2O
Mol. Weight110.11
Melting Point125-126 °C
Boiling Point180.6±23.0 °C at 760 mmHg

别名和识别编码

Synonym 3-Methylpyrimidin-4(3H)-one {LY} 3-Methylpyrimidin-4(3H)-one {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpyrimidin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methy
PubChem Substance ID301417
InChIInChI=1S/C5H6N2O/c1-7-4-6-3-2-5(7)8/h2-4H,1H3
CAS Number6104-45-6
Chemical Name Translation3-甲基嘧啶-4(3H)-酮
Canonical SMILESO=C1N(C)C=NC=C1
Chemical Name3-Methylpyrimidin-4(3H)-one
MDL NumberMFCD00234097
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; amide; lactame; 1fragment

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.

安全信息

Storage condition

系列性分类

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