chempirical

Dibutyl [(diethylamino)carbonyl]phosphonate

C13H28NO4PCAS 7439-69-2293.34 g/mol

Open in Covalent MOL file
OPOOON
Phosphonate

Properties

Molecular formula
C13H28NO4P
Molar mass
293.34 g/mol
Exact mass
293.1756 Da
logP
4.27Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7439-69-2
SMILES
CCCCOP(=O)(OCCCC)C(=O)N(CC)CC
InChIKey
VIZPJAFCJKGFQB-UHFFFAOYSA-N
InChI
InChI=1S/C13H28NO4P/c1-5-9-11-17-19(16,18-12-10-6-2)13(15)14(7-3)8-4/h5-12H2,1-4H3

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Names and synonyms

9 names
  • Dibutyl P-[(diethylamino)carbonyl]phosphonate
  • Phosphonic acid, P-[(diethylamino)carbonyl]-, dibutyl ester
  • Phosphonic acid, (diethylcarbamoyl)-, dibutyl ester
  • Phosphonic acid, [(diethylamino)carbonyl]-, dibutyl ester
  • Dibutyl N,N-diethylcarbamoylphosphonate
  • Dibutyl N,N-diethylcarbamylphosphonate
  • NSC 203038
  • Diethyl (dibutylcarbamoyl)phosphonate
  • 1-Dibutoxyphosphoryl-N,N-diethylformamide

Work with Dibutyl [(diethylamino)carbonyl]phosphonate

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

Tributyl phosphate126-73-844 % similar Dibutyl phosphate107-66-441 % similar N,N-Diethyldodecanamide3352-87-238 % similar Tris(2-butoxyethyl) phosphate78-51-337 % similar Dibutyl oxalate2050-60-436 % similar Dibutyl carbonate542-52-936 % similar S-Propyl-N-butyl-N-ethylthiocarbamate1114-71-236 % similar Dicetyl phosphate2197-63-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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