Triethyl 4-phosphonobutyrate

C₁₀H₂₁O₅PCAS 2327-69-7252.25 g/mol

Open in Covalent MOL file

Ester Phosphonate

Properties

Molecular formula: C₁₀H₂₁O₅P
Molar mass: 252.25 g/mol
Exact mass: 252.1127 Da
logP: 2.60Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation20% of notifiers

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

2327-69-7

SMILES

CCOC(=O)CCCP(=O)(OCC)OCC

InChIKey

FYESTJSRASJZOY-UHFFFAOYSA-N

InChI

InChI=1S/C10H21O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h4-9H2,1-3H3

Weigh it out

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

Work with Triethyl 4-phosphonobutyrate

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 3-phosphonopropionate3699-67-081 % similar Triethyl phosphonoacetate867-13-064 % similar Diethyl glutarate818-38-262 % similar Diethyl adipate141-28-660 % similar Diethyl sebacate110-40-758 % similar Diethyl pimelate2050-20-658 % similar Diethyl suberate2050-23-958 % similar Diethyl azelate624-17-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl diethylphosphonoacetate27784-76-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook