40410

N,N′-Dimethylurea

(sym.), ≥95.0% (HPLC), technical

• Synonym(s): 1,3-Dimethylurea
• Linear Formula: (CH₃NH)₂CO
• CAS Number: 96-31-1
• Molecular Weight: 88.11
• Beilstein: 1740672
• EC Number: 202-498-7
• MDL number: MFCD00008286
• UNSPSC Code: 12352100
• PubChem Substance ID: 57649991
• NACRES: NA.22

Properties

• 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)

Description

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.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): 314.6 °F - closed cup
• Flash Point(C): 157 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves