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5-Hydroxy Propafenone Hydrochloride

CAT: 0572-TRC-H952450-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H952450-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86383-32-6
Synonyms
5-Hydroxypropafenone Hydrochloride
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cl.CCCNCC(O)COc1ccc(O)cc1C(=O)CCc2ccccc2
Molecular Formula
C21 H27 N O4 . Cl H
Molecular Weight
393.9
InChI
InChI=1S/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16;/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3;1H
Additionnal Information
IUPAC name: 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Hydroxy Propafenone Hydrochloride
CAS Number86383-32-6
PubChem CID13504901
IUPAC Name1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
Molecular FormulaC21H28ClNO4
Molecular Weight393.9
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity397
SMILES
CCCNCC(COC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O.Cl
InChI
InChI=1S/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16;/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3;1H
InChIKey
FAYLNKVZLXBDBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy Propafenone Hydrochloride
CAS: 86383-32-6
CID: 13504901
Formula: C21H28ClNO4
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass393.1706861
Monoisotopic Mass393.1706861
Topological Polar Surface Area78.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity397
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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