chempirical

(±)-Bupropion

C13H18ClNOCAS 34911-55-2239.74 g/mol

Open in Covalent MOL file
NHOCl
Aryl halideKetoneSecondary amine

Properties

Molecular formula
C13H18ClNO
Molar mass
239.74 g/mol
Exact mass
239.1077 Da
Melting point
25 °C
Boiling point
52 °C
pKa
8.35
logP
3.30Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Hazardous Substances Data Bank (HSDB), via PubChem.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
34911-55-2
SMILES
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIKey
SNPPWIUOZRMYNY-UHFFFAOYSA-N
InChI
InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 1-Propanone, 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-
  • 1-Propanone, 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-, (±)-
  • 1-(3-Chlorophenyl)-2-[(1,1-dimethylethyl)amino]-1-propanone
  • Bupropion
  • Amfebutamone
  • α-(tert-Butylamino)-m-chloropropiophenone
  • Amfebutamon
  • Bupropion SR
  • Elontril
  • Aplenzin
  • Bupropion XL
  • Bupropion XR
  • Bupron
  • 2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-one
  • Forfivo XL

Work with (±)-Bupropion

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Bupropion hydrochloride31677-93-7Salt

Similar compounds

Alpha-Bromo-3-chloropropiophenone34911-51-856 % similar 1-(3-Chlorophenyl)ethanone99-02-544 % similar 3-Chlorobenzoyl chloride618-46-241 % similar m-Chlorobenzoic acid methyl ester2905-65-941 % similar 3′-Chloropropiophenone34841-35-541 % similar 3-Chlorobenzophenone1016-78-040 % similar 3-Chlorobenzoic acid535-80-840 % similar 2,3'-Dichloroacetophenone21886-56-639 % similar

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

Same formula

4-Acetyl-4-phenylpiperidine hydrochloride10315-03-4 Deschloroketamine hydrochloride4631-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook