chempirical

Dimethylurea

C3H8N2OCAS 96-31-188.11 g/mol

Open in Covalent MOL file
NHONH

Properties

Molecular formula
C3H8N2O
Molar mass
88.11 g/mol
Exact mass
88.0637 Da
Density
1.14 g/mL
Melting point
108 °C
Boiling point
268–270 °C
Flash point
154 °C
Water solubility
765 g/L (21.5 °C)
logP
-0.25Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 171 ECHA notifiers. Aggregated from 171 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
96-31-1
SMILES
CN=C(O)NC
InChIKey
MGJKQDOBUOMPEZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Urea, N,N′-dimethyl-
  • Urea, 1,3-dimethyl-
  • N,N′-Dimethylurea
  • 1,3-Dimethylurea
  • Symmetric dimethylurea
  • Sym-Dimethylurea
  • NSC 14910
  • NSC 24823
  • N,N'-Dimethylurea

Work with Dimethylurea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N′-Dimethylthiourea534-13-442 % similar N-Methylacetamide79-16-335 % similar Methylurea598-50-533 % similar Methylcarbamoyl chloride6452-47-733 % similar N-Methylpropionamide1187-58-231 % similar N,2,2-Trimethylpropanamide6830-83-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Propiohydrazide5818-15-5 N,N-Dimethylurea598-94-7 Ethylurea625-52-5 Ethylurea9009-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia