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rac-Propanolol

CAT: 0572-TRC-P840013-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P840013-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
525-66-6
Synonyms
1-[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol; (±)-Propranolol; 1-(1-Naphthyloxy)-3-(isopropylamino)-2-propanol; 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol; 3-(Naphth-1-yloxy)-1-(isopropylamino)propan-2-ol; AY 64043; Betalong; DL-Propranolol; Euprovasin; Innopran XL; Propranolol; Proprasylyt; Racemic propranolol; Reducor; dl-Propranolol; β-Propranolol; rac-Propanolol; 1[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(C)NCC(O)COc1cccc2ccccc12
Molecular Formula
C16 H21 N O2
Molecular Weight
259.34
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Additionnal Information
IUPAC name: 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Propranolol

Propranolol is a propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. It has a role as an anxiolytic drug, a beta-adrenergic antagonist, a vasodilator agent, an antihypertensive agent, a xenobiotic, an anti-arrhythmia drug, an environmental contaminant and a human blood serum metabolite. It is a member of naphthalenes, a secondary amine and a propanolamine. It is functionally related to a 1-naphthol.

CAS Number525-66-6
PubChem CID4946
IUPAC Name1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC16H21NO2
Molecular Weight259.34
XLogP3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity257
SMILES
CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKey
AQHHHDLHHXJYJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propranolol
CAS: 525-66-6
CID: 4946
Formula: C16H21NO2
MW: 259.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.34
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass259.157228913
Monoisotopic Mass259.157228913
Topological Polar Surface Area41.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity257
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

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