chempirical

Propranolol

C16H21NO2CAS 525-66-6259.35 g/mol

Open in Covalent MOL file
HNHOO
AlcoholEtherSecondary amine

Properties

Molecular formula
C16H21NO2
Molar mass
259.35 g/mol
Exact mass
259.1572 Da
Melting point
96 °C
pKa
9.53
logP
2.58Crippen estimate
Polar surface area
41.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
525-66-6
SMILES
CC(C)NCC(O)COc1cccc2ccccc12
InChIKey
AQHHHDLHHXJYJD-UHFFFAOYSA-N
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-
  • 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-
  • 1-[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol
  • 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol
  • β-Propranolol
  • 1-(1-Naphthyloxy)-3-(isopropylamino)-2-propanol
  • Proprasylyt
  • Reducor
  • Betalong
  • Dl-Propranolol
  • (±)-Propranolol
  • Racemic propranolol
  • AY 64043
  • Euprovasin
  • Innopran XL
  • 3-(Naphth-1-yloxy)-1-(isopropylamino)propan-2-ol
  • 1-Isopropylamino-3-naphthalen-1-yloxypropan-2-ol
  • [2-Hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine
  • 1-(Naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol

Work with Propranolol

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.

Propranolol hydrochloride318-98-9Salt Propranolol hydrochloride3506-09-0Salt (+)-Propranolol hydrochloride13071-11-9Salt, defined stereoisomer (S)-Propranolol hydrochloride4199-10-4Salt, defined stereoisomer

Similar compounds

Carazolol57775-29-867 % similar Pindolol13523-86-966 % similar Alprenolol13655-52-259 % similar Oxprenolol hydrochloride6452-73-958 % similar Alprenolol hydrochloride13707-88-556 % similar 2-((1-Naphthalenyloxy)methyl)oxirane2461-42-949 % similar Naftopidil57149-07-248 % similar Metoprolol37350-58-648 % similar

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

Same formula

Ramelteon196597-26-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook