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Acebutolol Impurity F

CAT: 1596-AR-A01099-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01099-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96480-91-0
Synonyms
N- (3-acetyl-4- (2,3-dihydroxypropoxy) phenyl) butyramide; N-[3-Acetyl-4-[ (2RS) -2,3-dihydroxypropoxy]phenyl]butanamide; (+/-) -N-[3-Acetyl-4- (2,3-dihydroxypropoxy) phenyl]butanamide; Acebutolol EP Impurity F
Molecular Formula
C15H21NO5
Molecular Weight
295.34
API Name
Acebutolol

Chemical Information

N-(3-Acetyl-4-(2,3-dihydroxypropoxy)phenyl)butanamide
CAS Number96480-91-0
PubChem CID13914680
IUPAC NameN-[3-acetyl-4-(2,3-dihydroxypropoxy)phenyl]butanamide
Molecular FormulaC15H21NO5
Molecular Weight295.33
XLogP0.7
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity347
SMILES
CCCC(=O)NC1=CC(=C(C=C1)OCC(CO)O)C(=O)C
InChI
InChI=1S/C15H21NO5/c1-3-4-15(20)16-11-5-6-14(13(7-11)10(2)18)21-9-12(19)8-17/h5-7,12,17,19H,3-4,8-9H2,1-2H3,(H,16,20)
InChIKey
WTQWBNBPVIGMBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Acetyl-4-(2,3-dihydroxypropoxy)phenyl)butanamide
CAS: 96480-91-0
CID: 13914680
Formula: C15H21NO5
MW: 295.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.33
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass295.14197277
Monoisotopic Mass295.14197277
Topological Polar Surface Area95.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity347
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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