1-(Diphenylmethyl)azetidin-3-one

C₁₆H₁₅NOCAS 40320-60-3237.30 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₆H₁₅NO
Molar mass: 237.30 g/mol
Exact mass: 237.1154 Da
logP: 2.66Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40320-60-3

SMILES

C1C(=O)CN1C(C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

AVUDXLOVIBJFQA-UHFFFAOYSA-N

InChI

InChI=1S/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2

Weigh it out

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

Names and synonyms

1 names

1-Benzhydrylazetidin-3-one

Work with 1-(Diphenylmethyl)azetidin-3-one

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

5-Phenylcyclohexane-1,3-dione493-72-152 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-651 % similar 1-[4-(Diphenylmethyl)-1-piperazinyl]-3,3-diphenyl-1-propanone41332-24-549 % similar 1-Benzhydrylazetidin-3-ol18621-17-547 % similar 1-Benzhydrylazetan-3-ol40432-51-747 % similar 1-(Diphenylmethyl)-3-azetidinamine40432-52-847 % similar 4-Phenylcyclohexanone4894-75-147 % similar Diphenylmethylpiperazine841-77-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook