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About This Item
Linear Formula:
(C2H5)2NCONH2
CAS Number:
Molecular Weight:
116.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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assay
97%
form
solid
mp
69-71 °C (lit.)
solubility
water: soluble 50 g/L, clear
SMILES string
CCN(CC)C(N)=O
InChI
1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChI key
TUMNHQRORINJKE-UHFFFAOYSA-N
General description
1,1-Diethylurea forms molecular adduct with nitro-substituted aromatic carboxylic acids. Adduct hydrate of 1,1-diethylurea with pyrazine-2,3-dicarboxylic acid has been prepared and characterized using low-temperature single-crystal X-ray diffraction methods.
Certificates of Analysis (COA)
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Molecular cocrystals of aromatic carboxylic acids with 1, 1-diethylurea: synthesis and the crystal structures of a series of nitro-substituted analogues.
Smith G, et al.
Australian Journal of Chemistry, 53(3), 203-208 (2000)
The crystal and molecular structure of the 1: 1 adduct hydrate of pyrazine-2, 3-dicarboxylic acid with 1, 1-diethylurea.
Smith G and Kennard CHL.
Australian Journal of Chemistry, 53(12), 999-1001 (2001)
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