DEPBT

C11H14N3O5PCAS 165534-43-0299.22 g/mol

Open in Covalent MOL file
OPOOONNNO
Phosphate

Properties

Molecular formula
C11H14N3O5P
Molar mass
299.22 g/mol
Exact mass
299.0671 Da
logP
1.40Crippen estimate
Polar surface area
92.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
165534-43-0
SMILES
CCOP(=O)(OCC)On1nnc2ccccc2c1=O
InChIKey
AJDPNPAGZMZOMN-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N3O5P/c1-3-17-20(16,18-4-2)19-14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Phosphoric acid, diethyl 4-oxo-1,2,3-benzotriazin-3-yl ester
  • 1,2,3-Benzotriazin-4(3H)-one, 3-[(diethoxyphosphinyl)oxy]-
  • Diethyl 4-oxo-1,2,3-benzotriazin-3-yl phosphate
  • 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one
  • 3-[(Diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one

Work with DEPBT

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

Azinphos-ethyl2642-71-952 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-244 % similar Azinphos-methyl86-50-042 % similar Hdbtu164861-52-342 % similar N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate125700-69-841 % similar 9,10-Bis(diethylphosphonomethyl)anthracene60974-92-735 % similar 2-Methyl-3-amino-4-quinazolone1898-06-235 % similar Triethyl phosphate78-40-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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