4-Benzoyloxy-tempo

C₁₆H₂₂NO₃CAS 3225-26-1276.36 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₆H₂₂NO₃
Molar mass: 276.36 g/mol
Exact mass: 276.1600 Da
logP: 3.21Crippen estimate
Polar surface area: 49.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H320 Causes eye irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P301+P317, P305+P351+P338, P319, P330, P337+P317, P501

Identifiers

CAS number

3225-26-1

SMILES

CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C

InChIKey

MJEDTBDGYVATPI-UHFFFAOYSA-N

InChI

InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

4-Hydroxy-TEMPO benzoate

Work with 4-Benzoyloxy-tempo

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

Glyceryl tribenzoate614-33-551 % similar Isopropyl benzoate939-48-048 % similar Neopentyl glycol dibenzoate4196-89-844 % similar tert-Butyl peroxybenzoate614-45-942 % similar Isobutyl benzoate120-50-341 % similar (+)-Dibenzoyltartaric acid17026-42-541 % similar L-Dibenzoyltartaric acid2743-38-641 % similar Pentaerythrityl tetrabenzoate4196-86-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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