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Merck
CN

40410

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57649991
EC Number:
202-498-7
Beilstein/REAXYS Number:
1740672
MDL number:
MFCD00008286
Assay:
≥95.0% (HPLC)

Key Documents

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Product Name

N,N′-Dimethylurea, (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

200

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.

Storage Class

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)

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Certificates of Analysis (COA)

Lot/Batch Number
11420MS
BCCG6722
BCBG0959V
BCBG4446V
BCBF2348V

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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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