Clenbuterol

C₁₂H₁₈Cl₂N₂OCAS 37148-27-9277.19 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Primary amine Secondary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers

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

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

Clenbuterol-d9129138-58-5Labelled Clenbuterol hydrochloride21898-19-1Salt

Similar compounds

(±)-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 Bambuterol hydrochloride81732-46-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook