4-(Dimethylamino)benzophenone

C15H15NOCAS 530-44-9225.29 g/mol

Open in Covalent MOL file
NO
KetoneTertiary amine

Properties

Molecular formula
C15H15NO
Molar mass
225.29 g/mol
Exact mass
225.1154 Da
Melting point
92.5 °C
logP
2.98Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
530-44-9
SMILES
CN(C)c1ccc(C(=O)c2ccccc2)cc1
InChIKey
BEUGBYXJXMVRFO-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.83 (dd, J = 7.7, 1.6 Hz, 2H), 7.65 (d, J = 7.7 Hz, 2H), 7.58 (m, J = 7.7, 1.6 Hz, 1H), 7.49 (m, J = 7.7 Hz, 2H), 6.83 (d, J = 7.7 Hz, 2H), 2.88 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 196.7, 154.5, 137.7, 132.1, 130.8, 130.0, 128.1, 125.9, 112.4, 35.4.
[M + H]+
[M + H]+ Calcd for C15H16NO 226.1226
[M + Na]+
[M + Na]+ Calcd for C15H15NNaO 248.1046
[M − H]−
[M − H]− Calcd for C15H14NO 224.1081
Elemental analysis
Anal. Calcd for C15H15NO: C, 79.97; H, 6.71; N, 6.22.

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Names and synonyms

10 names
  • Methanone, [4-(dimethylamino)phenyl]phenyl-
  • Benzophenone, 4-(dimethylamino)-
  • [4-(Dimethylamino)phenyl]phenylmethanone
  • p-Benzoyl-N,N-dimethylaniline
  • N,N-Dimethyl-p-aminobenzophenone
  • 4-Benzoyl-N,N-dimethylaniline
  • NSC 15962
  • NSC 28935
  • 4-(Dimethylamino)phenyl phenyl ketone
  • p-Dimethylaminobenzophenone

Reactions

Work with 4-(Dimethylamino)benzophenone

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(dimethylamino)benzophenone90-94-884 % similar 1,4-Dibenzoylbenzene3016-97-564 % similar Benzophenone119-61-960 % similar 4-Methylbenzophenone134-84-957 % similar 4-Chlorobenzophenone134-85-057 % similar 4-Phenylbenzophenone2128-93-055 % similar 4-Dimethylaminoacetophenone2124-31-455 % similar 4-(Dimethylamino)benzoyl chloride4755-50-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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