Butylurea

C5H12N2OCAS 592-31-4116.16 g/mol

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NHNH2O

Properties

Molecular formula
C5H12N2O
Molar mass
116.16 g/mol
Exact mass
116.0950 Da
Melting point
96 °C
Water solubility
10–50 g/L (17.8 °C)
logP
0.87Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
592-31-4
SMILES
CCCCNC(=N)O
InChIKey
CNWSQCLBDWYLAN-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)

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Names and synonyms

5 names
  • Urea, N-butyl-
  • Urea, butyl-
  • N-Butylurea
  • 1-Butylurea
  • NSC 2597

Work with 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-Octadecylurea2158-08-986 % similar Propylurea627-06-577 % similar N-Butylthiourea1516-32-156 % similar Ethylurea625-52-554 % similar Hydroxyethyl urea2078-71-952 % similar Dibutylurea1792-17-252 % similar Ureidopropyltriethoxysilane23779-32-050 % similar Dodecylguanidine hydrochloride13590-97-148 % 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 Valerohydrazide38291-82-6 2,2-Dimethylpropanoic acid hydrazide42826-42-6 Isobutylurea592-17-6 N,N′-Diethylurea623-76-7 Tetramethylurea632-22-4

Elsewhere

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