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293768

1-甲基尿嘧啶

Name: 1-甲基尿嘧啶
Brand: ALDRICH

99%

别名:

1-甲基-2,4(1H,3H)-嘧啶二酮

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关于此项目

经验公式（希尔记法）:

C₅H₆N₂O₂

化学文摘社编号:

615-77-0

分子量:

126.11

NACRES:

NA.22

PubChem Substance ID:

24857675

UNSPSC Code:

12352100

MDL number:

MFCD00038666

Assay:

99%

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属性

Quality Level

200

assay

99%

mp

236-238 °C (lit.)

solubility

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)

InChI key

XBCXJKGHPABGSD-UHFFFAOYSA-N

说明

General description

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.

pictograms

GHS08

signalword

Warning

hcodes

H351

pcodes

P201 - P202 - P280 - P308 + P313 - P405 - P501

Hazard Classifications

Carc. 2

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Experimental and theoretical study of energetics of complex formation between nucleic acid bases and the bases with amide group.

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

Simulating the interaction between amino acids and DNA: a combined matrix-isolation FT-IR and theoretical study of the 1-methyluracil·glycine H-bond complexes using a dual sublimation furnace.

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

Crystal structure of 1-methyluracil from neutron diffraction at 15, 60 and 123 K.

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 =

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货号	GTIN
293768-500MG	04061832912950