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4-Hydroxy Propafenone

CAT: 1596-AR-P03037-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P03037-04Size:100 Units
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CAS Number
86383-31-5
Synonyms
1- (4-hydroxy-2- (2-hydroxy-3- (propylamino) propoxy) phenyl) -3-phenylpropan-1-one;1-[4-Hydroxy-2-[2-hydroxy-3- (propylamino) propoxy]phenl]-3-phenyl-1-propanone Hydrochloride
Molecular Formula
C21H27NO4
Molecular Weight
357.45
API Name
Propafenone

Chemical Information

4-Hydroxy Propafenone Hydrochloride
CAS Number86383-31-5
PubChem CID45039497
IUPAC Name1-[4-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=CC(=C1)O)C(=O)CCC2=CC=CC=C2)O.Cl
InChI
InChI=1S/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-13-17(23)9-10-19(21)20(25)11-8-16-6-4-3-5-7-16;/h3-7,9-10,13,18,22-24H,2,8,11-12,14-15H2,1H3;1H
InChIKey
WKRSKHMUIJZGKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy Propafenone Hydrochloride
CAS: 86383-31-5
CID: 45039497
Formula: C21H28ClNO4
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
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