chempirical

Centralite

C17H20N2OCAS 85-98-3268.36 g/mol

Open in Covalent MOL file
NON
Urea

Properties

Molecular formula
C17H20N2O
Molar mass
268.36 g/mol
Exact mass
268.1576 Da
Density
1.12 g/mL (at 20 °C)
Melting point
79 °C
Flash point
150 °C
Water solubility
< 1 g/L (21.5 °C)
logP
4.16Crippen estimate
Polar surface area
23.6 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 85 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number
85-98-3
SMILES
CCN(C(=O)N(CC)c1ccccc1)c1ccccc1
InChIKey
PZIMIYVOZBTARW-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3

Weigh it out

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Names and synonyms

12 names
  • Urea, N,N′-diethyl-N,N′-diphenyl-
  • Carbanilide, N,N′-diethyl-
  • Centralite 1
  • N,N′-Diethyl-N,N′-diphenylurea
  • Carbamite
  • Sym-Diethyldiphenylurea
  • Ethyl centralite
  • N,N′-Diethylcarbanilide
  • Centralite I
  • 1,3-Diethyl-1,3-diphenylurea
  • NSC 28779
  • NSC 44038

Work with Centralite

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyldiphenylthiuram disulfide41365-24-656 % similar Diethylaniline91-66-752 % similar Centralite II611-92-752 % similar (T-4)-Bis(N-ethyl-N-phenylcarbamodithioato-κS,κS′)zinc14634-93-651 % similar Butylacetanilide91-49-647 % similar N,N-Diethylbenzamide1696-17-947 % similar 1-Phenyl-2-pyrrolidinone4641-57-045 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-744 % similar

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

Same formula

4,4'-Bis(dimethylamino)benzophenone90-94-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia