Clenbuterol-d9

C₁₂H₉D₉Cl₂N₂OCAS 129138-58-5286.24 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Primary amine Secondary amine

Properties

Molecular formula: C₁₂H₉D₉Cl₂N₂O
Molar mass: 286.24 g/mol
Exact mass: 285.1361 Da
logP: 3.00Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

129138-58-5

SMILES

[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O

InChIKey

STJMRWALKKWQGH-GQALSZNTSA-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/i1D3,2D3,3D3

Weigh it out

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

Names and synonyms

1 names

Clenbuterol D9

Work with Clenbuterol-d9

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 hydrochloride21898-19-167 % similar (±)-Tulobuterol41570-61-041 % similar 2,6-Dichloro-1,4-benzenediamine609-20-139 % similar Tulobuterol hydrochloride56776-01-339 % similar Terbutaline23031-25-638 % similar 2,4,6-Trichloroaniline634-93-535 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-834 % similar 2,6-Dichloro-4-fluorobenzenamine344-19-433 % similar

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

Same formula

Clenbuterol37148-27-9

Elsewhere

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