chempirical

Diethyl (4-aminobenzyl)phosphonate

C11H18NO3PCAS 20074-79-7243.24 g/mol

Open in Covalent MOL file
OPONH2O
PhosphatePrimary Amine

Properties

Molecular formula
C11H18NO3P
Molar mass
243.24 g/mol
Exact mass
243.1024 Da
Melting point
93–95 °C
logP
3.03Crippen estimate
Polar surface area
61.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Identifiers

CAS number
20074-79-7
SMILES
CCOP(=O)(Cc1ccc(N)cc1)OCC
InChIKey
ZVAYUUUQOCPZCZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Phosphonic acid, P-[(4-aminophenyl)methyl]-, diethyl ester
  • Phosphonic acid, (p-aminobenzyl)-, diethyl ester
  • Phosphonic acid, [(4-aminophenyl)methyl]-, diethyl ester
  • DABP
  • Diethyl (p-aminobenzyl)phosphonate
  • NSC 84194
  • (4-Aminobenzyl)phosphonic acid diethyl ester

Work with Diethyl (4-aminobenzyl)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

Elsewhere

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