Diethyl (4-aminobenzyl)phosphonate

C11H18NO3PCAS 20074-79-7243.24 g/mol

Open in Covalent MOL file
OPONH2O
PhosphonatePrimary 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
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

8 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
  • Diethyl p-aminobenzylphosphonate

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

Similar compounds

P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-779 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-572 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-669 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-268 % similar Diethyl P-((4-bromophenyl)methyl)phosphonate38186-51-566 % similar Diethyl 4-chlorobenzylphosphonate39225-17-766 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-066 % similar Diethyl P-((4-methoxyphenyl)methyl)phosphonate1145-93-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook