Phenyl phosphorodiamidate

C6H9N2O2PCAS 7450-69-3172.12 g/mol

Open in Covalent MOL file
H2NPH2NOO

Properties

Molecular formula
C6H9N2O2P
Molar mass
172.12 g/mol
Exact mass
172.0402 Da
Melting point
185 °C
logP
1.09Crippen estimate
Polar surface area
78.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
7450-69-3
SMILES
NP(N)(=O)Oc1ccccc1
InChIKey
AYRRNFHDJUXLEQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)

Weigh it out

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Names and synonyms

6 names
  • Phosphorodiamidic acid, phenyl ester
  • Diamidophosphoric acid phenyl ester
  • Phenyl diamidophosphate
  • Phenyl phosphate diamide
  • Phosphoric acid phenyl ester diamide
  • [(Diaminophosphoryl)oxy]benzene

Work with Phenyl phosphorodiamidate

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

Triphenyl phosphate115-86-656 % similar Diphenyl phosphate838-85-756 % similar Diphenyl chlorophosphate2524-64-350 % similar Phenyl phosphorodichloridate770-12-750 % similar Resorcinol bis(diphenyl phosphate)57583-54-748 % similar Disodium phenyl phosphate3279-54-745 % similar Hexaphenoxycyclotriphosphazene1184-10-744 % similar Diphenylphosphoryl azide26386-88-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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