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259454

Sigma-Aldrich

1,1-Diethylurea

97%

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About This Item

Linear Formula:
(C2H5)2NCONH2
CAS Number:
634-95-7
Molecular Weight:
116.16
EC Number:
211-220-3
MDL number:
MFCD00007960
UNSPSC Code:
12352100
PubChem Substance ID:
24855705
NACRES:
NA.22

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

259454-BULK:
259454-VAR:
259454-100G:
259454-25G:

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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