chempirical

Centralite II

C15H16N2OCAS 611-92-7240.31 g/mol

Open in Covalent MOL file
NON
Urea

Properties

Molecular formula
C15H16N2O
Molar mass
240.31 g/mol
Exact mass
240.1263 Da
Melting point
122 °C
Boiling point
350 °C
logP
3.38Crippen estimate
Polar surface area
23.6 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P301+P317, P321, P330, P405, P501

Identifiers

CAS number
611-92-7
SMILES
CN(C(=O)N(C)c1ccccc1)c1ccccc1
InChIKey
ADCBKYIHQQCFHE-UHFFFAOYSA-N
InChI
InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3

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Names and synonyms

9 names
  • Urea, N,N′-dimethyl-N,N′-diphenyl-
  • Carbanilide, N,N′-dimethyl-
  • Carbanilide, α,β-dimethyl-
  • N,N′-Dimethyl-N,N′-diphenylurea
  • N,N′-Dimethylcarbanilide
  • Methyl centralite
  • 1,3-Dimethyl-1,3-diphenylurea
  • Dimethylcarbanilide
  • NSC 59781

Work with Centralite II

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-Methylacetanilide579-10-263 % similar 2-Chloro-N-methyl-N-phenylacetamide2620-05-559 % similar Centralite85-98-352 % similar Ethyl methyl(phenyl)carbamate2621-79-652 % similar N-Methyl-N-phenylthiourea4104-75-050 % similar N,N-Diphenylacetamide519-87-945 % similar Dimethylaniline121-69-744 % similar N-Methyl-N-phenylbenzenamine552-82-944 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook