chempirical

Allylurea

C4H8N2OCAS 557-11-9100.12 g/mol

Open in Covalent MOL file
NHNH2O
Alkene

Properties

Molecular formula
C4H8N2O
Molar mass
100.12 g/mol
Exact mass
100.0637 Da
Melting point
85 °C
Water solubility
≥ 100 g/L (19.5 °C)
logP
0.25Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
557-11-9
SMILES
C=CCNC(=N)O
InChIKey
VPJDULFXCAQHRC-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)

Weigh it out

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

Names and synonyms

13 names · show all
  • Urea, N-2-propen-1-yl-
  • Urea, allyl-
  • Urea, 2-propenyl-
  • N-2-Propen-1-ylurea
  • Allylcarbamide
  • Monoallylurea
  • 1-Allylurea
  • N-2-Propenylurea
  • N-Allylurea
  • NSC 136617
  • NSC 7607
  • 1-(2-Propenyl)urea
  • (Prop-2-en-1-yl)urea

Work with Allylurea

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

Allylthiourea109-57-954 % similar N,N'-Di-2-propen-1-ylurea1801-72-548 % similar Methylol urea1000-82-446 % similar Ethylurea625-52-544 % similar Hydroxyethyl urea2078-71-942 % similar Biuret108-19-041 % similar Biurea110-21-441 % similar Diallylamine124-02-741 % similar

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

Same formula

Tetrahydro-2(1H)-pyrimidinone1852-17-1 N'-Hydroxycyclopropanecarboximidamide51285-13-3 Piperazinone5625-67-2 Cyclopropanecarbohydrazide6952-93-8 N-Nitrosopyrrolidine930-55-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook