Naftalofos

C16H16NO6PCAS 1491-41-4349.28 g/mol

Open in Covalent MOL file
OPOOONOO
AmideLactamPhosphate

Properties

Molecular formula
C16H16NO6P
Molar mass
349.28 g/mol
Exact mass
349.0715 Da
Melting point
177 °C
logP
3.55Crippen estimate
Polar surface area
82.1 Ų
H-bond donors / acceptors
0 / 6
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

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, P501

Identifiers

CAS number
1491-41-4
SMILES
CCOP(=O)(OCC)ON1C(=O)c2cccc3cccc(c23)C1=O
InChIKey
QNSIFYWAPWSAIJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3

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Names and synonyms

13 names · show all
  • Phosphoric acid, 1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl diethyl ester
  • Naphthalimide, N-hydroxy-, diethyl phosphate
  • 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[(diethoxyphosphinyl)oxy]-
  • S 940
  • ENT 25567
  • O,O-Diethyl N-hydroxynaphthalimide phosphate
  • N-Hydroxynaphthalimide diethyl phosphate
  • Naphthalophos
  • Rametin
  • BAY 9002
  • Maretin
  • Bayer 9002
  • 1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl diethyl phosphate

Work with Naftalofos

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 ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate33512-26-446 % similar N-Hydroxynaphthalimide7797-81-143 % similar N-Hydroxynaphthalimide triflate85342-62-742 % similar Alrestatin51411-04-241 % similar n,n-(1,8-Naphthalyl)hydroxylamine sodium salt6207-89-240 % similar N-Carbethoxyphthalimide22509-74-640 % similar Acenaphthoquinone82-86-039 % similar Ethyl 1-naphthalenecarboxylate3007-97-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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