质量水平
等级
technical
检测方案
≥95.0% (HPLC)
bp
268-270 °C (lit.)
mp
101-104 °C (lit.)
102-109 °C
SMILES字符串
CNC(=O)NC
InChI
1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChI key
MGJKQDOBUOMPEZ-UHFFFAOYSA-N
基因信息
human ... EPHX2(2053)
mouse ... Ephx2(13850)
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一般描述
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.
应用
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.
WGK
WGK 1
闪点(°F)
314.6 °F
闪点(°C)
157 °C
个人防护装备
Eyeshields, Gloves, type N95 (US)
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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