40410
N,N′-二甲基脲
(sym.), ≥95.0% (HPLC), technical
别名:
1,3-二甲基脲
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关于此项目
线性分子式:
(CH3NH)2CO
化学文摘社编号:
分子量:
88.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-498-7
Beilstein/REAXYS Number:
1740672
MDL number:
Assay:
≥95.0% (HPLC)
产品名称
N,N′-二甲基脲, (sym.), ≥95.0% (HPLC), technical
InChI key
MGJKQDOBUOMPEZ-UHFFFAOYSA-N
InChI
1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
SMILES string
CNC(=O)NC
grade
technical
assay
≥95.0% (HPLC)
bp
268-270 °C (lit.)
mp
101-104 °C (lit.)
102-109 °C
functional group
amine
Quality Level
Gene Information
human ... EPHX2(2053)
mouse ... Ephx2(13850)
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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.
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.
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
314.6 °F - closed cup
flash_point_c
157 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
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)
Nonlinear optical properties of N,N' dimethylurea.
Halbout JM, et al.
Applied Physics Letters, 37(10), 864-866 (1980)
Polar structure of N,N'-dimethylurea crystals.
Perez-Folch J, et al.
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.
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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