chempirical

Diethyl cyanophosphonate

C5H10NO3PCAS 2942-58-7163.11 g/mol

Open in Covalent MOL file
OPONO
NitrilePhosphate

Properties

Molecular formula
C5H10NO3P
Molar mass
163.11 g/mol
Exact mass
163.0398 Da
Density
1.0884 g/mL (at 20 °C)
Boiling point
90–91 °C (at 11 Torr)
logP
1.73Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
2942-58-7
SMILES
CCOP(=O)(C#N)OCC
InChIKey
ZWWWLCMDTZFSOO-UHFFFAOYSA-N
InChI
InChI=1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Phosphorocyanidic acid, diethyl ester
  • Phosphonic acid, cyano-, diethyl ester
  • Ethyl phosphorocyanidate
  • Diethylphosphoryl cyanide
  • Diethyl phosphorocyanidate
  • DEPC
  • Diethoxyphosphoryl cyanide
  • Diethyl cyanophosphate

Work with Diethyl cyanophosphonate

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook