Triethyl 3-phosphonopropionate

C₉H₁₉O₅PCAS 3699-67-0238.22 g/mol

Open in Covalent MOL file

Ester Phosphonate

Properties

Molecular formula: C₉H₁₉O₅P
Molar mass: 238.22 g/mol
Exact mass: 238.0970 Da
logP: 2.21Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

3699-67-0

SMILES

CCOC(=O)CCP(=O)(OCC)OCC

InChIKey

JMJWCUOIOKBVNQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H19O5P/c1-4-12-9(10)7-8-15(11,13-5-2)14-6-3/h4-8H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 3-(diethoxyphosphoryl)propanoate

Work with Triethyl 3-phosphonopropionate

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

Triethyl 4-phosphonobutyrate2327-69-781 % similar Triethyl phosphonoacetate867-13-068 % similar Diethyl succinate123-25-157 % similar Tetraethyl ethylenediphosphonate995-32-457 % similar Diethyl glutarate818-38-255 % similar Diethyl adipate141-28-653 % similar Diethyl propylphosphonate18812-51-653 % similar Ethyl butyrate105-54-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Triethyl 2-phosphonopropionate3699-66-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook