chempirical

Cyclohexylurea

C7H14N2OCAS 698-90-8142.20 g/mol

Open in Covalent MOL file
NH2OHN

Properties

Molecular formula
C7H14N2O
Molar mass
142.20 g/mol
Exact mass
142.1106 Da
Melting point
184 °C
logP
1.40Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
698-90-8
SMILES
N=C(O)NC1CCCCC1
InChIKey
WUESWDIHTKHGQA-UHFFFAOYSA-N
InChI
InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)

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Names and synonyms

7 names
  • Urea, N-cyclohexyl-
  • Urea, cyclohexyl-
  • N-Cyclohexylurea
  • 1-Cyclohexylurea
  • Monocyclohexyl urea
  • NSC 23790
  • NSC 27454

Reactions

Work with Cyclohexylurea

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

N-Cyclohexylthiourea5055-72-152 % similar Dicyclohexylurea2387-23-747 % similar N-Octadecylurea2158-08-941 % similar Cyclohexanecarboxamide1122-56-141 % similar Dicyclohexylamine101-83-739 % similar Biuret108-19-039 % similar Biurea110-21-439 % similar Homocitrulline1190-49-439 % similar

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

Same formula

1-(Oxetan-3-yl)piperazine1254115-23-5 Cyclohexanecarbohydrazide38941-47-8 N-4-Piperidinylacetamide5810-56-0 1-(3-Aminopropyl)-2-pyrrolidinone7663-77-6

Elsewhere

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