Products for Research Use Only
RegisterLogin

Salbutamol

CAT: 0127-BIS7017Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BIS7017Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
18559-94-9
Synonyms
4-[2- (tert-Butylamino) -1-hydroxyethyl]-2- (hydroxymethyl) phenol, Albuterol
MDL Number
MFCD00148978
Smiles
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1

Chemical Information

Salbutamol

Albuterol is a member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). It has a role as a beta-adrenergic agonist, a bronchodilator agent, a xenobiotic and an environmental contaminant. It is a member of phenylethanolamines, a member of phenols and a secondary amino compound.

CAS Number18559-94-9
PubChem CID2083
IUPAC Name4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Molecular FormulaC13H21NO3
Molecular Weight239.31
XLogP0.3
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity227
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
InChIKey
NDAUXUAQIAJITI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salbutamol
CAS: 18559-94-9
CID: 2083
Formula: C13H21NO3
MW: 239.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.31
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass239.15214353
Monoisotopic Mass239.15214353
Topological Polar Surface Area72.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS122164-01Salbutamol
FA61527-01(±) -Salbutamol

Popular Products