Diethyl phosphoranilidate

C10H16NO3PCAS 1445-38-1229.22 g/mol

Open in Covalent MOL file
OPOHNO

Properties

Molecular formula
C10H16NO3P
Molar mass
229.22 g/mol
Exact mass
229.0868 Da
Melting point
96.5 °C
Boiling point
65–66 °C (at 2.5 Torr)
logP
3.28Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
1445-38-1
SMILES
CCOP(=O)(Nc1ccccc1)OCC
InChIKey
GESBKELMKMNZLZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,12)

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

Names and synonyms

5 names
  • Phosphoramidic acid, N-phenyl-, diethyl ester
  • Phosphoramidic acid, phenyl-, diethyl ester
  • Diethyl N-phenylphosphoramidate
  • NSC 16105
  • Diethyl phenylphosphoramidate

Work with Diethyl phosphoranilidate

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

Diethyl phenylphosphonate1754-49-048 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-646 % similar Edifenphos17109-49-844 % similar Diethyl(diphenylmethyl) phosphate27329-60-844 % similar Diethyl phenylthiomethylphosphonate38066-16-942 % similar N-Phenylglycine ethyl ester2216-92-441 % similar (Anilinomethyl)triethoxysilane3473-76-541 % similar 9,10-Bis(diethylphosphonomethyl)anthracene60974-92-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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