3-Dimethylamino-1-(naphthalen-1-yl)propan-1-one hydrochloride

C15H18ClNOCAS 5409-58-5263.76 g/mol

Open in Covalent MOL file
NOHCl
KetoneTertiary amine

Properties

Molecular formula
C15H18ClNO
Molar mass
263.76 g/mol
Exact mass
263.1077 Da
Melting point
165 °C
logP
3.40Crippen 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

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

Identifiers

CAS number
5409-58-5
SMILES
CN(C)CCC(=O)c1cccc2ccccc12.Cl
InChIKey
GUTDWEKYWTXJGD-UHFFFAOYSA-N
InChI
InChI=1S/C15H17NO.ClH/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9H,10-11H2,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names
  • 1-Propanone, 3-(dimethylamino)-1-(1-naphthalenyl)-, hydrochloride (1:1)
  • 1′-Propionaphthone, 3-(dimethylamino)-, hydrochloride
  • 1-Propanone, 3-(dimethylamino)-1-(1-naphthalenyl)-, hydrochloride
  • 3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one hydrochloride

Work with 3-Dimethylamino-1-(naphthalen-1-yl)propan-1-one 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one10320-49-7Free base

Similar compounds

β-Dimethylaminopropiophenone hydrochloride879-72-160 % similar 4-Naphthalen-1-yl-4-oxo-butyric acid4653-13-853 % similar 3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride5424-47-552 % similar Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate62071-76-546 % similar 1-Acetylnaphthalene941-98-044 % similar Ethyl 1-naphthalenecarboxylate3007-97-441 % similar 1-Naphthoic acid86-55-540 % similar 1-Naphthoyl chloride879-18-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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