chempirical

Clenbuterol

C12H18Cl2N2OCAS 37148-27-9277.19 g/mol

Open in Covalent MOL file
HNHOClNH2Cl
AlcoholAryl halidePrimary amineSecondary amine

Properties

Molecular formula
C12H18Cl2N2O
Molar mass
277.19 g/mol
Exact mass
276.0796 Da
Density
1.42 g/mL
logP
3.00Crippen estimate
Polar surface area
58.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
37148-27-9
SMILES
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
InChIKey
STJMRWALKKWQGH-UHFFFAOYSA-N
InChI
InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Benzenemethanol, 4-amino-3,5-dichloro-α-[[(1,1-dimethylethyl)amino]methyl]-
  • 4-Amino-3,5-dichloro-α-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol
  • 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
  • Planipart
  • P 5369
  • Dl-Clenbuterol
  • (±)-Clenbuterol
  • (RS)-Clenbuterol
  • Monores
  • 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol

Work with Clenbuterol

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

Clenbuterol hydrochloride21898-19-192 % similar (±)-Tulobuterol41570-61-061 % similar Terbutaline23031-25-657 % similar Tulobuterol hydrochloride56776-01-357 % similar Terbutaline sulfate23031-32-548 % similar Salbutamol18559-94-945 % similar (-)-Salbutamol34391-04-345 % similar Levalbuterol hydrochloride50293-90-842 % similar

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

Same formula

Clenbuterol-d9129138-58-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook