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Merck

293768

Sigma-Aldrich

1-Methyluracil

99%

Synonym(e):

1-Methyl-2,4(1H,3H)-pyrimidindion

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500 MG
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500 MG
236,00 €

About This Item

Empirische Formel (Hill-System):
C5H6N2O2
CAS-Nummer:
Molekulargewicht:
126.11
MDL-Nummer:
UNSPSC-Code:
12352100
PubChem Substanz-ID:
NACRES:
NA.22

236,00 €


Versandbereit am22. April 2025Details


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Qualitätsniveau

Assay

99%

mp (Schmelzpunkt)

236-238 °C (lit.)

Löslichkeit

1 M NaOH: soluble 50 mg/mL, clear, colorless

SMILES String

CN1C=CC(=O)NC1=O

InChI

1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)

InChIKey

XBCXJKGHPABGSD-UHFFFAOYSA-N

Verwandte Kategorien

Allgemeine Beschreibung

1-Methyluracil is of special importance in biochemistry, since uracil attaches ribose in ribonucleic acid (RNA) just precisely at the N1 atom[1]. H-bond complex formation between 1-methyluracil and glycine has been investigated by theoretical calculations and FT-IR spectroscopy in Ar matrices[2]. It forms 1:1 complexes with 9-ethyl-8-bromo-2,6-diaminopurine and the complex structure has been determined by three-dimensional X-ray diffraction methods[3].

Piktogramme

Health hazard

Signalwort

Warning

H-Sätze

Gefahreneinstufungen

Carc. 2

Lagerklassenschlüssel

11 - Combustible Solids

WGK

WGK 3

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

Persönliche Schutzausrüstung

dust mask type N95 (US), Eyeshields, Gloves


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V I Poltev et al.
Journal of biomolecular structure & dynamics, 9(1), 101-111 (1991-08-01)
A number of nucleic acid base pairs and complexes between the bases and the amide group of acrylamide have been studied experimentally by using mass spectrometry and theoretically by the method of atom-atom potential function calculations. It has been found
E Sagstuen et al.
Radiation research, 149(2), 120-127 (1998-02-11)
Single crystals of the co-crystalline complex of 1-methyluracil and 9-ethyladenine were X-irradiated and studied using EPR, ENDOR and FSE spectroscopic techniques at 10 K. All together seven radicals were identified, and experimental evidence for at least one more species, as
R K McMullan et al.
Acta crystallographica. Section B, Structural science, 45 ( Pt 3), 270-276 (1989-06-01)
The crystal structure of 1-methylpyrimidine-2,4-dione (1-methyluracil, C5H6N2O2) has been determined at 15, 60 and 123 K from neutron diffraction data. Molecules lie in the eightfold special positions (symmetry m) of space group Ibam, with a = 13.213 (2), b =
V I Poltev et al.
Molekuliarnaia biologiia, 29(2), 365-375 (1995-03-01)
Monte Carlo simulation of hydration of keto and enol tautomers of 9-methylguanine (G) and 1-methyluracil (U) has been performed in relation to a possible role of tautomer transitions of DNA bases in mutagenesis. The comparison of the simulation results with
Bram Boeckx et al.
The journal of physical chemistry. B, 116(39), 11890-11898 (2012-09-12)
The H-bond complex formation between 1-methyluracil and glycine has been investigated by theoretical calculations and the most stable complex configurations have been identified by FT-IR spectroscopy in Ar matrices. The importance of this H-bonding system is huge since all DNA

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