chempirical

4-Dimethylaminoacetophenone

C10H13NOCAS 2124-31-4163.22 g/mol

Open in Covalent MOL file
ON
KetoneTertiary amine

Properties

Molecular formula
C10H13NO
Molar mass
163.22 g/mol
Exact mass
163.0997 Da
Melting point
103 °C
Boiling point
172–175 °C (at 11 Torr)
logP
1.96Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
2124-31-4
SMILES
CC(=O)c1ccc(N(C)C)cc1
InChIKey
HUDYANRNMZDQGA-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO/c1-8(12)9-4-6-10(7-5-9)11(2)3/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • 1-[4-(Dimethylamino)phenyl]ethanone
  • Ethanone, 1-[4-(dimethylamino)phenyl]-
  • Acetophenone, 4′-(dimethylamino)-
  • p-(Dimethylamino)acetophenone
  • 4′-(Dimethylamino)acetophenone
  • 4′-(N,N-Dimethylamino)acetophenone
  • 4-Acetyl-N,N-dimethylaniline
  • 4-(Dimethylamino)phenyl methyl ketone
  • p-(N,N-Dimethylamino)acetophenone
  • NSC 74022
  • 1-(4-(Dimethylamino)phenyl)ethan-1-one

Work with 4-Dimethylaminoacetophenone

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

1,4-Diacetylbenzene1009-61-665 % similar Michler's ketone90-94-863 % similar 4-(Dimethylamino)benzoyl chloride4755-50-459 % similar 4'-Diethylaminoacetophenone5520-66-158 % similar 4,4'-Diacetylbiphenyl787-69-958 % similar 1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-058 % similar P-Chloroacetophenone99-91-257 % similar 4-(Dimethylamino)benzoic acid619-84-157 % similar

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

Same formula

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0 Formetorex15302-18-8 1-(4-Aminophenyl)-1-butanone1688-71-7 (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol18881-17-9 N-(2,6-Dimethylphenyl)acetamide2198-53-0 N-(3,4-Dimethylphenyl)acetamide2198-54-1 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-3 2-(Pyrrolidin-1-yl)phenol4787-77-3

Elsewhere

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