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40410

Sigma-Aldrich

N,N′-二甲基脲

(sym.), ≥95.0% (HPLC), technical

同義詞:

1,3-二甲基脲

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About This Item

線性公式:
(CH3NH)2CO
CAS號碼:
分子量::
88.11
Beilstein:
1740672
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

等級

technical

化驗

≥95.0% (HPLC)

bp

268-270 °C (lit.)

mp

101-104 °C (lit.)
102-109 °C

SMILES 字串

CNC(=O)NC

InChI

1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChI 密鑰

MGJKQDOBUOMPEZ-UHFFFAOYSA-N

基因資訊

human ... EPHX2(2053)
mouse ... Ephx2(13850)

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一般說明

N,N′-Dimethylurea (1,3-Dimethylurea), an alkyl urea derivative, is a nonlinear organic material. It forms needle-shaped crystals. It has been crystallized by using ethylacetate (solvent) and heptane (precipitant) by vapor diffusion technique. Its crystals has one molecule in each asymmetric unit. Molecules in crystal are linked by hydrogen bonds.

應用

N,N′-Dimethylurea is the suitable reagent used to investigate the polar structure of its crystals. It may be used in the Dowex-50W ion exchange resin-promoted solvent-free synthesis of N,N′-disubstituted-4-aryl-3,4-dihydropyrimidinones.

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 1

閃點(°F)

314.6 °F - closed cup

閃點(°C)

157 °C - closed cup

個人防護裝備

Eyeshields, Gloves, type N95 (US)


分析證明 (COA)

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Polar structure of N,N'-dimethylurea crystals.
Perez-Folch J, et al.
Journal of Chemical Crystallography, 27(6), 367-369 (1997)
Nonlinear optical properties of N,N' dimethylurea.
Halbout JM, et al.
Applied Physics Letters, 37(10), 864-866 (1980)
Infrared spectra and configurations of alkylurea derivatives: Normal vibrations on N,N'-dimethyl-and tetramethylurea.
Rao CNR, et al.
Journal of Molecular Spectroscopy, 28(4), 526-535 (1968)
Dowex-promoted general synthesis of N, N'-disubstituted-4-aryl-3, 4-dihydropyrimidinones using a solvent-free Biginelli condensation protocol.
Singh K, et al.
Tetrahedron Letters, 47(25), 4205-4207 (2006)
Yishan Chen et al.
Physical chemistry chemical physics : PCCP, 13(16), 7384-7395 (2011-03-23)
The binding behaviors of the 27-membered macrocyclic triurea 1 towards the five anions, F(-), Cl(-), Br(-), I(-) and NO(3)(-), through multiple hydrogen-bonding interactions, were investigated at the B3LYP/6-311++G(d,p)//B3LYP/6-31(1)++G(d,p) (6-31(1)++G(d,p) is a hybrid basis set; for more details see computational methods)

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