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Iso Propranolol Hydrochloride

CAT: 0572-TRC-I724470-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I724470-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27827-18-5
Synonyms
2-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol Hydrochloride; 2-[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-1-propanol Hydrochloride; 2-(isopropylamino)-3-(1-naphthyloxy)-1-propanol Hydrochloride
Hazard Statement
No Data Available
Smiles
OCC(NC(C)C)COC1=CC=CC2=CC=CC=C12.Cl
Molecular Formula
C16H21NO2 . HCl
Molecular Weight
295.81
InChI
InChI=1S/C16H21NO2.ClH/c1-12(2)17-14(10-18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
Additionnal Information
IUPAC name: 2-(isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Iso Propranolol Hydrochloride
CAS Number27827-18-5
PubChem CID171380156
IUPAC Name3-naphthalen-1-yloxy-2-(propan-2-ylamino)propan-1-ol;hydrochloride
Molecular FormulaC16H22ClNO2
Molecular Weight295.80
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity257
SMILES
CC(C)NC(CO)COC1=CC=CC2=CC=CC=C21.Cl
InChI
InChI=1S/C16H21NO2.ClH/c1-12(2)17-14(10-18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
InChIKey
NRNBBDFCLQPXSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iso Propranolol Hydrochloride
CAS: 27827-18-5
CID: 171380156
Formula: C16H22ClNO2
MW: 295.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.80
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass295.1339066
Monoisotopic Mass295.1339066
Topological Polar Surface Area41.5 Ų
Heavy Atom Count20
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 Count2
Compound Is CanonicalizedYes

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