chempirical

Isobutylurea

C5H12N2OCAS 592-17-6116.16 g/mol

Open in Covalent MOL file
NHNH2O

Properties

Molecular formula
C5H12N2O
Molar mass
116.16 g/mol
Exact mass
116.0950 Da
Melting point
94 °C
logP
0.72Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Identifiers

CAS number
592-17-6
SMILES
CC(C)CNC(=N)O
InChIKey
MQBITTBZTXUIPN-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)

Weigh it out

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

Names and synonyms

9 names
  • Urea, N-(2-methylpropyl)-
  • Urea, isobutyl-
  • Urea, (2-methylpropyl)-
  • N-(2-Methylpropyl)urea
  • 1-Isobutylurea
  • N-Isobutylurea
  • NSC 27457
  • (2-Methylpropyl)urea
  • 2-Methylpropylurea

Work with Isobutylurea

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

Propylurea627-06-550 % similar Ethylurea625-52-548 % similar N-Octadecylurea2158-08-946 % similar (2-Hydroxyethyl)urea2078-71-946 % similar Methylol urea1000-82-444 % similar Albizziin1483-07-444 % similar Isovaleramide541-46-841 % similar Methylurea598-50-540 % similar

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

Same formula

tert-Butylurea1118-12-3 Morpholin-2-yl-methylamine116143-27-2 3-Amino-2,2-dimethylpropanamide324763-51-1 Valeric acid hydrazide38291-82-6 2,2-Dimethylpropanoic acid hydrazide42826-42-6 Butylurea592-31-4 N,N′-Diethylurea623-76-7 Tetramethylurea632-22-4

Elsewhere

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