4'-Diethylaminoacetophenone

C12H17NOCAS 5520-66-1191.27 g/mol

Open in Covalent MOL file
NO
KetoneTertiary amine

Properties

Molecular formula
C12H17NO
Molar mass
191.27 g/mol
Exact mass
191.1310 Da
logP
2.74Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
5520-66-1
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)C
InChIKey
HMIBQFXWSUBFTG-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3

Weigh it out

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Names and synonyms

1 names
  • p-Diethylaminoacetophenone

Work with 4'-Diethylaminoacetophenone

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

4,4'-Bis(diethylamino)benzophenone90-93-767 % similar 4'-Piperidinoacetophenone10342-85-566 % similar 1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-062 % similar 4-Morpholinoacetophenone39910-98-062 % similar 1-(4-Acetylphenyl)piperazine51639-48-662 % similar 4-(Diethylamino)benzoic acid5429-28-761 % similar 4-Dimethylaminoacetophenone2124-31-458 % similar 1,4-Diacetylbenzene1009-61-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

DEET134-62-3 1-Benzyl-3-hydroxypiperidine14813-01-5 4'-tert-Butylacetanilide20330-45-4 1-Benzylpiperidin-4-ol4727-72-4 4-(Phenylmethyl)-4-piperidinol51135-96-7 [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-4 1-Benzylpyrrolidin-3-yl-methanol5731-17-9 1-(3-Hydroxybenzyl)piperidine73279-04-6

Elsewhere

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