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293768

Sigma-Aldrich

1-甲基尿嘧啶

99%

别名:

1-甲基-2,4(1H,3H)-嘧啶二酮

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About This Item

经验公式（希尔记法）:
C5H6N2O2
CAS号:
615-77-0
分子量:
126.11
MDL號碼:
MFCD00038666
分類程式碼代碼:
12352100
PubChem物質ID:
24857675
NACRES:
NA.22

化驗

99%

mp

236-238 °C (lit.)

溶解度

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

SMILES 字串

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)

InChI 密鑰

XBCXJKGHPABGSD-UHFFFAOYSA-N

相关类别

一般說明

1-Methyluracil is of special importance in biochemistry, since uracil attaches ribose in ribonucleic acid (RNA) just precisely at the N1 atom. H-bond complex formation between 1-methyluracil and glycine has been investigated by theoretical calculations and FT-IR spectroscopy in Ar matrices. 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.

象形圖

Health hazard
GHS08

訊號詞

Warning

危險聲明

H351

危險分類

Carc. 2

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves

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Marek Boczar et al.
The Journal of chemical physics, 128(16), 164506-164506 (2008-05-02)
Theoretical simulation of the band shape and fine structure of the N-H(D) stretching band is presented for 1-methyluracil and its deuterated derivative taking into account anharmonic coupling between the high-frequency N-H(D) stretching and the low-frequency N...O stretching vibrations, resonance interaction
L F Sukhodub et al.
Biofizika, 34(2), 181-186 (1989-03-01)
The hydration of nucleotide bases of m9Ade(A), m1Ura(U) and a complementary pair A.U was studied by field ionization mass-spectrometry at room and low (170 K) temperatures in vacuum. Enthalpies of A.U-pair formation and its monohydrate A.U(H2O) were measured using temperature
W T Klooster et al.
Acta crystallographica. Section B, Structural science, 48 ( Pt 2), 217-227 (1992-04-01)
1-Methyluracil (1-methyl-2,4-dioxopyrimidine), C5H6-N2O2, M(r) = 126.12, orthorhombic, Ibam, a = 13.188 (6), b = 13.175 (5), c = 6.214 (3) A, V = 1079.7 (8) A3, Z = 8, Dx = 1.552 g cm-3, lambda (Mo K alpha) = 0.7107
A Leś et al.
Journal of biomolecular structure & dynamics, 15(4), 703-715 (1998-03-26)
Theoretical quantum mechanical ab initio Hartree-Fock calculations on molecular systems, modeling processes related to the specificity of thymidylate synthase inactivation are reported. We considered several steps of the methylation of the substrate dUMP and 4- or 5-mono- and 4,5-bisubstituted dUMP
Natalja Vogt et al.
The journal of physical chemistry. A, 117(44), 11374-11381 (2013-10-31)
As far as fundamental knowledge is concerned, the methyl derivatives of uracil can be considered as the simplest objects for studying the structural effects due to the substitution in the pyrimidyne nucleobases. From this point of view, 1-methyluracil is of
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