Home Other Building Blocks 4-Hydroxy Propafenone Hydrochloride

4-Hydroxy Propafenone Hydrochloride

CAS No.:
86383-31-5
Catalog Number:
AG004XXX
Molecular Formula:
C21H28ClNO4
Molecular Weight:
393.9043
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Product Description
Catalog Number:
AG004XXX
Chemical Name:
4-Hydroxy Propafenone Hydrochloride
CAS Number:
86383-31-5
Molecular Formula:
C21H28ClNO4
Molecular Weight:
393.9043
MDL Number:
MFCD12031375
IUPAC Name:
1-[4-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
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
InChI Key:
WKRSKHMUIJZGKZ-UHFFFAOYSA-N
SMILES:
CCCNCC(COc1cc(O)ccc1C(=O)CCc1ccccc1)O.Cl
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.171g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
393.908g/mol
Monoisotopic Mass:
393.171g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties