chempirical

tert-Butylurea

C5H12N2OCAS 1118-12-3116.16 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
183 °C (decomposes)
logP
0.87Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Identifiers

CAS number
1118-12-3
SMILES
CC(C)(C)NC(=N)O
InChIKey
JLEHSYHLHLHPAL-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)

Weigh it out

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

Names and synonyms

8 names
  • Urea, N-(1,1-dimethylethyl)-
  • Urea, tert-butyl-
  • Urea, (1,1-dimethylethyl)-
  • N-(1,1-Dimethylethyl)urea
  • N-tert-Butylurea
  • 1-tert-Butylurea
  • NSC 4604
  • (1,1-Dimethylethyl)urea

Work with tert-Butylurea

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-(1,1-Dimethylethyl)thiourea7204-48-044 % similar Methylurea598-50-543 % similar Biuret108-19-043 % similar Biurea110-21-443 % similar Ethylurea625-52-540 % similar Semicarbazide57-56-738 % similar Propylurea627-06-537 % similar Methylol urea1000-82-436 % similar

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

Same formula

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 Isobutylurea592-17-6 Butylurea592-31-4 N,N′-Diethylurea623-76-7 Tetramethylurea632-22-4

Elsewhere

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