(±)-Tulobuterol

C12H18ClNOCAS 41570-61-0227.73 g/mol

Open in Covalent MOL file
HNHOCl
AlcoholAryl halideSecondary amine

Properties

Molecular formula
C12H18ClNO
Molar mass
227.73 g/mol
Exact mass
227.1077 Da
Melting point
89–91 °C
logP
2.76Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
41570-61-0
SMILES
CC(C)(C)NCC(O)c1ccccc1Cl
InChIKey
YREYLAVBNPACJM-UHFFFAOYSA-N
InChI
InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanol, 2-chloro-α-[[(1,1-dimethylethyl)amino]methyl]-
  • 2-Chloro-α-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol
  • o-Chloro-α-[(tert-butylamino)methyl]benzyl alcohol
  • Tulobuterol
  • HN 078
  • 2-(tert-Butylamino)-1-(2-chlorophenyl)ethan-1-ol
  • 2-(tert-Butylamino)-1-(2-chlorophenyl)ethanol

Work with (±)-Tulobuterol

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.

Tulobuterol hydrochloride56776-01-3Salt

Similar compounds

Clorprenaline3811-25-462 % similar Clenbuterol37148-27-961 % similar N-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride6933-90-057 % similar Clenbuterol hydrochloride21898-19-157 % similar (1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-054 % similar Terbutaline23031-25-649 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-245 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzyl-3-piperidinol hydrochloride105973-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook