chempirical

Diethyl butylphosphonate

C8H19O3PCAS 2404-75-3194.21 g/mol

Open in Covalent MOL file
POOO
Phosphonate

Properties

Molecular formula
C8H19O3P
Molar mass
194.21 g/mol
Exact mass
194.1072 Da
logP
3.05Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

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
2404-75-3
SMILES
CCCCP(=O)(OCC)OCC
InChIKey
KEOJOAVYGLGAIM-UHFFFAOYSA-N
InChI
InChI=1S/C8H19O3P/c1-4-7-8-12(9,10-5-2)11-6-3/h4-8H2,1-3H3

Weigh it out

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Names and synonyms

1 names
  • Diethyl N-butanephosphonate

Work with Diethyl butylphosphonate

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 decylphosphonate16165-68-784 % similar Diethyl propylphosphonate18812-51-678 % similar Tetraethyl ethylenediphosphonate995-32-470 % similar Diethyl P-(2-bromoethyl)phosphonate5324-30-157 % similar Tetraethyl methylenediphosphonate1660-94-256 % similar Triethyl 4-phosphonobutyrate2327-69-755 % similar Diethyl ethylphosphonate78-38-654 % similar Diethyl P-[2-(triethoxysilyl)ethyl]phosphonate757-44-853 % similar

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

Same formula

Di-tert-butyl phosphite13086-84-5 Dibutyl phosphite1809-19-4 Octylphosphonic acid4724-48-5

Elsewhere

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