40410
N,N′-Dimethylurea
(sym.), ≥95.0% (HPLC), technical
Synonym(s):
1,3-Dimethylurea
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About This Item
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Quality Level
grade
technical
assay
≥95.0% (HPLC)
bp
268-270 °C (lit.)
mp
101-104 °C (lit.)
102-109 °C
functional group
amine
SMILES string
CNC(=O)NC
InChI
1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChI key
MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Gene Information
human ... EPHX2(2053)
mouse ... Ephx2(13850)
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General description
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.
Application
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.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 1
flash_point_f
314.6 °F - closed cup
flash_point_c
157 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
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Infrared spectra and configurations of alkylurea derivatives: Normal vibrations on N,N'-dimethyl-and tetramethylurea.
Journal of Molecular Spectroscopy, 28(4), 526-535 (1968)
Nonlinear optical properties of N,N' dimethylurea.
Applied Physics Letters, 37(10), 864-866 (1980)
Polar structure of N,N'-dimethylurea crystals.
Journal of Chemical Crystallography, 27(6), 367-369 (1997)
Dowex-promoted general synthesis of N, N'-disubstituted-4-aryl-3, 4-dihydropyrimidinones using a solvent-free Biginelli condensation protocol.
Tetrahedron Letters, 47(25), 4205-4207 (2006)
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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