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Sigma-Aldrich

N,N′-Dimethylurea

(sym.), ≥95.0% (HPLC), technical

Synonym(s):

1,3-Dimethylurea

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About This Item

Linear Formula:
(CH3NH)2CO
CAS Number:
96-31-1
Molecular Weight:
88.11
Beilstein/REAXYS Number:
1740672
EC Number:
202-498-7
MDL number:
MFCD00008286
UNSPSC Code:
12352100
PubChem Substance ID:
57649991
NACRES:
NA.22

grade

technical

assay

≥95.0% (HPLC)

bp

268-270 °C (lit.)

mp

101-104 °C (lit.)
102-109 °C

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)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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