β-Dimethylaminopropiophenone hydrochloride

C11H16ClNOCAS 879-72-1213.71 g/mol

Open in Covalent MOL file
NOHCl
KetoneTertiary amine

Properties

Molecular formula
C11H16ClNO
Molar mass
213.71 g/mol
Exact mass
213.0920 Da
Melting point
153–156 °C
logP
2.24Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
879-72-1
SMILES
CN(C)CCC(=O)c1ccccc1.Cl
InChIKey
DKNDBIIKSJWQFL-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H

Weigh it out

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

Names and synonyms

8 names
  • 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
  • Propiophenone, 3-(dimethylamino)-, hydrochloride
  • 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride
  • 3-(Dimethylamino)propiophenone hydrochloride
  • Dimethylaminopropiophenone hydrochloride
  • 3-(Dimethylamino)-1-phenyl-1-propanone hydrochloride
  • Dimethyl(3-oxo-3-phenylpropyl)ammonium chloride
  • NSC 629913

Reactions

Work with β-Dimethylaminopropiophenone hydrochloride

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

3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride5424-47-561 % similar 3-Dimethylamino-1-(naphthalen-1-yl)propan-1-one hydrochloride5409-58-560 % similar 1,4-Diphenyl-1,4-butanedione495-71-657 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-053 % similar Butyrophenone495-40-953 % similar 2-Aminoacetophenone hydrochloride5468-37-153 % similar 3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one10320-49-753 % similar Valerophenone1009-14-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Clorprenaline3811-25-4 (S)-2-Amino-5-methoxytetralin hydrochloride58349-17-0

Elsewhere

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